#include #define NLM_GENERATED_CODE_PROTO #include #include static Boolean loaded = FALSE; #include #ifndef NLM_EXTERN_LOADS #define NLM_EXTERN_LOADS {} #endif Boolean LIBCALL objmmdb1AsnLoad(void) { if ( ! loaded) { NLM_EXTERN_LOADS if ( ! AsnLoad ()) return FALSE; loaded = TRUE; } return TRUE; } /************************************************** * Generated object loaders for Module MMDB-Chemical-graph * Generated using ASNCODE Revision: 4.2 at Aug 1, 1996 4:27 PM * **************************************************/ /************************************************** * * BiostrucNew() * **************************************************/ BiostrucPtr LIBCALL BiostrucNew(void) { BiostrucPtr ptr = MemNew((size_t) sizeof(Biostruc)); return ptr; } /************************************************** * * BiostrucFree() * **************************************************/ BiostrucPtr LIBCALL BiostrucFree(BiostrucPtr ptr) { if(ptr == NULL) { return NULL; } AsnGenericChoiceSeqOfFree(ptr -> id, (AsnOptFreeFunc) BiostrucIdFree); AsnGenericChoiceSeqOfFree(ptr -> descr, (AsnOptFreeFunc) BiostrucDescrFree); BiostrucGraphFree(ptr -> chemical_graph); AsnGenericUserSeqOfFree(ptr -> features, (AsnOptFreeFunc) BiostrucFeatureSetFree); AsnGenericUserSeqOfFree(ptr -> model, (AsnOptFreeFunc) BiostrucModelFree); return MemFree(ptr); } /************************************************** * * BiostrucAsnRead() * **************************************************/ BiostrucPtr LIBCALL BiostrucAsnRead(AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean isError = FALSE; AsnReadFunc func; BiostrucPtr ptr; if (! loaded) { if (! objmmdb1AsnLoad()) { return NULL; } } if (aip == NULL) { return NULL; } if (orig == NULL) { /* Biostruc ::= (self contained) */ atp = AsnReadId(aip, amp, BIOSTRUC); } else { atp = AsnLinkType(orig, BIOSTRUC); } /* link in local tree */ if (atp == NULL) { return NULL; } ptr = BiostrucNew(); if (ptr == NULL) { goto erret; } if (AsnReadVal(aip, atp, &av) <= 0) { /* read the start struct */ goto erret; } atp = AsnReadId(aip,amp, atp); func = NULL; if (atp == BIOSTRUC_id) { ptr -> id = AsnGenericChoiceSeqOfAsnRead(aip, amp, atp, &isError, (AsnReadFunc) BiostrucIdAsnRead, (AsnOptFreeFunc) BiostrucIdFree); if (isError && ptr -> id == NULL) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == BIOSTRUC_descr) { ptr -> descr = AsnGenericChoiceSeqOfAsnRead(aip, amp, atp, &isError, (AsnReadFunc) BiostrucDescrAsnRead, (AsnOptFreeFunc) BiostrucDescrFree); if (isError && ptr -> descr == NULL) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == BIOSTRUC_chemical_graph) { ptr -> chemical_graph = BiostrucGraphAsnRead(aip, atp); if (aip -> io_failure) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == BIOSTRUC_features) { ptr -> features = AsnGenericUserSeqOfAsnRead(aip, amp, atp, &isError, (AsnReadFunc) BiostrucFeatureSetAsnRead, (AsnOptFreeFunc) BiostrucFeatureSetFree); if (isError && ptr -> features == NULL) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == BIOSTRUC_model) { /* begin manual insertion */ AsnOptionPtr aop; int option = -1; if ((aop = AsnIoOptionGet(aip, OP_NCBIOBJSTR, BIOSTRUC_CHECK_MODEL, NULL)) != NULL) { AsnTypePtr start_atp; BiostrucModelPtr model; BiostrucModelPtr last = NULL; Int4 maxModels = INT2_MAX; Boolean retain; Boolean quitAfterRetainingNext = FALSE; Boolean quitNow = FALSE; option = aop->data.intvalue; if ((aop = AsnIoOptionGet(aip, OP_NCBIOBJSTR, BIOSTRUC_MAX_MODELS, NULL)) != NULL) { maxModels = aop->data.intvalue; } if (option == ONECOORDATOM || option == ONECOORDRES || option == ALLMDL || option == VECMODEL) { if (AsnReadVal (aip, atp, &av) <= 0) /* START_STRUCT */ goto erret; start_atp = atp; while ((atp = AsnReadId (aip, amp, atp)) != start_atp) { if ( ! ProgMon("caller of BiostrucModelAsnRead") ) { return NULL; } model = BiostrucModelAsnRead(aip, atp); if (model == NULL) break; retain = FALSE; quitAfterRetainingNext = TRUE; switch(option) { case VECMODEL: retain = model->type == 1; break; case ONECOORDRES: retain = model->type == 2; break; case ALLMDL: retain = model->type == 4 && maxModels-- > 0; quitAfterRetainingNext = maxModels <= 0; break; case ONECOORDATOM: default: retain = model->type == 3; break; } if (quitNow) break; if (retain) { if (ptr->model == NULL) { ptr->model = model; last = model; } else { /* insert at the end */ last->next = model; last = model; } if (quitAfterRetainingNext) break; } else { /* fix - if didn't retain model, free it */ BiostrucModelFree(model); } } return ptr; } } /* end manual insertion */ ptr -> model = AsnGenericUserSeqOfAsnRead(aip, amp, atp, &isError, (AsnReadFunc) BiostrucModelAsnRead, (AsnOptFreeFunc) BiostrucModelFree); if (isError && ptr -> model == NULL) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } /* end struct */ ret: AsnUnlinkType(orig); /* unlink local tree */ return ptr; erret: aip -> io_failure = TRUE; ptr = BiostrucFree(ptr); goto ret; } /************************************************** * * BiostrucAsnWrite() * **************************************************/ Boolean LIBCALL BiostrucAsnWrite(BiostrucPtr ptr, AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean retval = FALSE; if (! loaded) { if (! objmmdb1AsnLoad()) { return FALSE; } } if (aip == NULL) { return FALSE; } atp = AsnLinkType(orig, BIOSTRUC); /* link local tree */ if (atp == NULL) { return FALSE; } if (ptr == NULL) { AsnNullValueMsg(aip, atp); goto erret; } if (! AsnOpenStruct(aip, atp, (Pointer) ptr)) { goto erret; } AsnGenericChoiceSeqOfAsnWrite(ptr -> id, (AsnWriteFunc) BiostrucIdAsnWrite, aip, BIOSTRUC_id, BIOSTRUC_id_E); AsnGenericChoiceSeqOfAsnWrite(ptr -> descr, (AsnWriteFunc) BiostrucDescrAsnWrite, aip, BIOSTRUC_descr, BIOSTRUC_descr_E); if (ptr -> chemical_graph != NULL) { if ( ! BiostrucGraphAsnWrite(ptr -> chemical_graph, aip, BIOSTRUC_chemical_graph)) { goto erret; } } AsnGenericUserSeqOfAsnWrite(ptr -> features, (AsnWriteFunc) BiostrucFeatureSetAsnWrite, aip, BIOSTRUC_features, BIOSTRUC_features_E); AsnGenericUserSeqOfAsnWrite(ptr -> model, (AsnWriteFunc) BiostrucModelAsnWrite, aip, BIOSTRUC_model, BIOSTRUC_model_E); if (! AsnCloseStruct(aip, atp, (Pointer)ptr)) { goto erret; } retval = TRUE; erret: AsnUnlinkType(orig); /* unlink local tree */ return retval; } /************************************************** * * BiostrucIdFree() * **************************************************/ BiostrucIdPtr LIBCALL BiostrucIdFree(ValNodePtr anp) { Pointer pnt; if (anp == NULL) { return NULL; } pnt = anp->data.ptrvalue; switch (anp->choice) { default: break; case BiostrucId_other_database: DbtagFree(anp -> data.ptrvalue); break; case BiostrucId_local_id: ObjectIdFree(anp -> data.ptrvalue); break; } return MemFree(anp); } /************************************************** * * BiostrucIdAsnRead() * **************************************************/ BiostrucIdPtr LIBCALL BiostrucIdAsnRead(AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; ValNodePtr anp; Uint1 choice; Boolean isError = FALSE; Boolean nullIsError = FALSE; AsnReadFunc func; if (! loaded) { if (! objmmdb1AsnLoad()) { return NULL; } } if (aip == NULL) { return NULL; } if (orig == NULL) { /* BiostrucId ::= (self contained) */ atp = AsnReadId(aip, amp, BIOSTRUC_ID); } else { atp = AsnLinkType(orig, BIOSTRUC_ID); /* link in local tree */ } if (atp == NULL) { return NULL; } anp = ValNodeNew(NULL); if (anp == NULL) { goto erret; } if (AsnReadVal(aip, atp, &av) <= 0) { /* read the CHOICE or OpenStruct value (nothing) */ goto erret; } func = NULL; atp = AsnReadId(aip, amp, atp); /* find the choice */ if (atp == NULL) { goto erret; } if (atp == BIOSTRUC_ID_mmdb_id) { choice = BiostrucId_mmdb_id; if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } anp->data.intvalue = av.intvalue; } else if (atp == BIOSTRUC_ID_other_database) { choice = BiostrucId_other_database; func = (AsnReadFunc) DbtagAsnRead; } else if (atp == BIOSTRUC_ID_local_id) { choice = BiostrucId_local_id; func = (AsnReadFunc) ObjectIdAsnRead; } anp->choice = choice; if (func != NULL) { anp->data.ptrvalue = (* func)(aip, atp); if (aip -> io_failure) goto erret; if (nullIsError && anp->data.ptrvalue == NULL) { goto erret; } } ret: AsnUnlinkType(orig); /* unlink local tree */ return anp; erret: anp = MemFree(anp); aip -> io_failure = TRUE; goto ret; } /************************************************** * * BiostrucIdAsnWrite() * **************************************************/ Boolean LIBCALL BiostrucIdAsnWrite(BiostrucIdPtr anp, AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp, writetype = NULL; Pointer pnt; AsnWriteFunc func = NULL; Boolean retval = FALSE; if (! loaded) { if (! objmmdb1AsnLoad()) return FALSE; } if (aip == NULL) return FALSE; atp = AsnLinkType(orig, BIOSTRUC_ID); /* link local tree */ if (atp == NULL) { return FALSE; } if (anp == NULL) { AsnNullValueMsg(aip, atp); goto erret; } av.ptrvalue = (Pointer)anp; if (! AsnWriteChoice(aip, atp, (Int2)anp->choice, &av)) { goto erret; } pnt = anp->data.ptrvalue; switch (anp->choice) { case BiostrucId_mmdb_id: av.intvalue = anp->data.intvalue; retval = AsnWrite(aip, BIOSTRUC_ID_mmdb_id, &av); break; case BiostrucId_other_database: writetype = BIOSTRUC_ID_other_database; func = (AsnWriteFunc) DbtagAsnWrite; break; case BiostrucId_local_id: writetype = BIOSTRUC_ID_local_id; func = (AsnWriteFunc) ObjectIdAsnWrite; break; } if (writetype != NULL) { retval = (* func)(pnt, aip, writetype); /* write it out */ } if (!retval) { goto erret; } retval = TRUE; erret: AsnUnlinkType(orig); /* unlink local tree */ return retval; } /************************************************** * * BiostrucSetNew() * **************************************************/ BiostrucSetPtr LIBCALL BiostrucSetNew(void) { BiostrucSetPtr ptr = MemNew((size_t) sizeof(BiostrucSet)); return ptr; } /************************************************** * * BiostrucSetFree() * **************************************************/ BiostrucSetPtr LIBCALL BiostrucSetFree(BiostrucSetPtr ptr) { if(ptr == NULL) { return NULL; } AsnGenericChoiceSeqOfFree(ptr -> id, (AsnOptFreeFunc) BiostrucIdFree); AsnGenericChoiceSeqOfFree(ptr -> descr, (AsnOptFreeFunc) BiostrucDescrFree); AsnGenericUserSeqOfFree(ptr -> biostrucs, (AsnOptFreeFunc) BiostrucFree); return MemFree(ptr); } /************************************************** * * BiostrucSetAsnRead() * **************************************************/ BiostrucSetPtr LIBCALL BiostrucSetAsnRead(AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean isError = FALSE; AsnReadFunc func; BiostrucSetPtr ptr; if (! loaded) { if (! objmmdb1AsnLoad()) { return NULL; } } if (aip == NULL) { return NULL; } if (orig == NULL) { /* BiostrucSet ::= (self contained) */ atp = AsnReadId(aip, amp, BIOSTRUC_SET); } else { atp = AsnLinkType(orig, BIOSTRUC_SET); } /* link in local tree */ if (atp == NULL) { return NULL; } ptr = BiostrucSetNew(); if (ptr == NULL) { goto erret; } if (AsnReadVal(aip, atp, &av) <= 0) { /* read the start struct */ goto erret; } atp = AsnReadId(aip,amp, atp); func = NULL; if (atp == BIOSTRUC_SET_id) { ptr -> id = AsnGenericChoiceSeqOfAsnRead(aip, amp, atp, &isError, (AsnReadFunc) BiostrucIdAsnRead, (AsnOptFreeFunc) BiostrucIdFree); if (isError && ptr -> id == NULL) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == BIOSTRUC_SET_descr) { ptr -> descr = AsnGenericChoiceSeqOfAsnRead(aip, amp, atp, &isError, (AsnReadFunc) BiostrucDescrAsnRead, (AsnOptFreeFunc) BiostrucDescrFree); if (isError && ptr -> descr == NULL) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == BIOSTRUC_SET_biostrucs) { ptr -> biostrucs = AsnGenericUserSeqOfAsnRead(aip, amp, atp, &isError, (AsnReadFunc) BiostrucAsnRead, (AsnOptFreeFunc) BiostrucFree); if (isError && ptr -> biostrucs == NULL) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } /* end struct */ ret: AsnUnlinkType(orig); /* unlink local tree */ return ptr; erret: aip -> io_failure = TRUE; ptr = BiostrucSetFree(ptr); goto ret; } /************************************************** * * BiostrucSetAsnWrite() * **************************************************/ Boolean LIBCALL BiostrucSetAsnWrite(BiostrucSetPtr ptr, AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean retval = FALSE; if (! loaded) { if (! objmmdb1AsnLoad()) { return FALSE; } } if (aip == NULL) { return FALSE; } atp = AsnLinkType(orig, BIOSTRUC_SET); /* link local tree */ if (atp == NULL) { return FALSE; } if (ptr == NULL) { AsnNullValueMsg(aip, atp); goto erret; } if (! AsnOpenStruct(aip, atp, (Pointer) ptr)) { goto erret; } AsnGenericChoiceSeqOfAsnWrite(ptr -> id, (AsnWriteFunc) BiostrucIdAsnWrite, aip, BIOSTRUC_SET_id, BIOSTRUC_SET_id_E); AsnGenericChoiceSeqOfAsnWrite(ptr -> descr, (AsnWriteFunc) BiostrucDescrAsnWrite, aip, BIOSTRUC_SET_descr, BIOSTRUC_SET_descr_E); AsnGenericUserSeqOfAsnWrite(ptr -> biostrucs, (AsnWriteFunc) BiostrucAsnWrite, aip, BIOSTRUC_SET_biostrucs, BIOSTRUC_SET_biostrucs_E); if (! AsnCloseStruct(aip, atp, (Pointer)ptr)) { goto erret; } retval = TRUE; erret: AsnUnlinkType(orig); /* unlink local tree */ return retval; } /************************************************** * * BiostrucAnnotSetNew() * **************************************************/ BiostrucAnnotSetPtr LIBCALL BiostrucAnnotSetNew(void) { BiostrucAnnotSetPtr ptr = MemNew((size_t) sizeof(BiostrucAnnotSet)); return ptr; } /************************************************** * * BiostrucAnnotSetFree() * **************************************************/ BiostrucAnnotSetPtr LIBCALL BiostrucAnnotSetFree(BiostrucAnnotSetPtr ptr) { if(ptr == NULL) { return NULL; } AsnGenericChoiceSeqOfFree(ptr -> id, (AsnOptFreeFunc) BiostrucIdFree); AsnGenericChoiceSeqOfFree(ptr -> descr, (AsnOptFreeFunc) BiostrucDescrFree); AsnGenericUserSeqOfFree(ptr -> features, (AsnOptFreeFunc) BiostrucFeatureSetFree); return MemFree(ptr); } /************************************************** * * BiostrucAnnotSetAsnRead() * **************************************************/ BiostrucAnnotSetPtr LIBCALL BiostrucAnnotSetAsnRead(AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean isError = FALSE; AsnReadFunc func; BiostrucAnnotSetPtr ptr; if (! loaded) { if (! objmmdb1AsnLoad()) { return NULL; } } if (aip == NULL) { return NULL; } if (orig == NULL) { /* BiostrucAnnotSet ::= (self contained) */ atp = AsnReadId(aip, amp, BIOSTRUC_ANNOT_SET); } else { atp = AsnLinkType(orig, BIOSTRUC_ANNOT_SET); } /* link in local tree */ if (atp == NULL) { return NULL; } ptr = BiostrucAnnotSetNew(); if (ptr == NULL) { goto erret; } if (AsnReadVal(aip, atp, &av) <= 0) { /* read the start struct */ goto erret; } atp = AsnReadId(aip,amp, atp); func = NULL; if (atp == BIOSTRUC_ANNOT_SET_id) { ptr -> id = AsnGenericChoiceSeqOfAsnRead(aip, amp, atp, &isError, (AsnReadFunc) BiostrucIdAsnRead, (AsnOptFreeFunc) BiostrucIdFree); if (isError && ptr -> id == NULL) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == BIOSTRUC_ANNOT_SET_descr) { ptr -> descr = AsnGenericChoiceSeqOfAsnRead(aip, amp, atp, &isError, (AsnReadFunc) BiostrucDescrAsnRead, (AsnOptFreeFunc) BiostrucDescrFree); if (isError && ptr -> descr == NULL) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == BIOSTRUC_ANNOT_SET_features) { ptr -> features = AsnGenericUserSeqOfAsnRead(aip, amp, atp, &isError, (AsnReadFunc) BiostrucFeatureSetAsnRead, (AsnOptFreeFunc) BiostrucFeatureSetFree); if (isError && ptr -> features == NULL) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } /* end struct */ ret: AsnUnlinkType(orig); /* unlink local tree */ return ptr; erret: aip -> io_failure = TRUE; ptr = BiostrucAnnotSetFree(ptr); goto ret; } /************************************************** * * BiostrucAnnotSetAsnWrite() * **************************************************/ Boolean LIBCALL BiostrucAnnotSetAsnWrite(BiostrucAnnotSetPtr ptr, AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean retval = FALSE; if (! loaded) { if (! objmmdb1AsnLoad()) { return FALSE; } } if (aip == NULL) { return FALSE; } atp = AsnLinkType(orig, BIOSTRUC_ANNOT_SET); /* link local tree */ if (atp == NULL) { return FALSE; } if (ptr == NULL) { AsnNullValueMsg(aip, atp); goto erret; } if (! AsnOpenStruct(aip, atp, (Pointer) ptr)) { goto erret; } AsnGenericChoiceSeqOfAsnWrite(ptr -> id, (AsnWriteFunc) BiostrucIdAsnWrite, aip, BIOSTRUC_ANNOT_SET_id, BIOSTRUC_ANNOT_SET_id_E); AsnGenericChoiceSeqOfAsnWrite(ptr -> descr, (AsnWriteFunc) BiostrucDescrAsnWrite, aip, BIOSTRUC_ANNOT_SET_descr, BIOSTRUC_ANNOT_SET_descr_E); AsnGenericUserSeqOfAsnWrite(ptr -> features, (AsnWriteFunc) BiostrucFeatureSetAsnWrite, aip, BIOSTRUC_ANNOT_SET_features, BIOSTRUC_ANNOT_SET_features_E); if (! AsnCloseStruct(aip, atp, (Pointer)ptr)) { goto erret; } retval = TRUE; erret: AsnUnlinkType(orig); /* unlink local tree */ return retval; } /************************************************** * * BiostrucResidueGraphSetNew() * **************************************************/ BiostrucResidueGraphSetPtr LIBCALL BiostrucResidueGraphSetNew(void) { BiostrucResidueGraphSetPtr ptr = MemNew((size_t) sizeof(BiostrucResidueGraphSet)); return ptr; } /************************************************** * * BiostrucResidueGraphSetFree() * **************************************************/ BiostrucResidueGraphSetPtr LIBCALL BiostrucResidueGraphSetFree(BiostrucResidueGraphSetPtr ptr) { if(ptr == NULL) { return NULL; } AsnGenericChoiceSeqOfFree(ptr -> id, (AsnOptFreeFunc) BiostrucIdFree); AsnGenericChoiceSeqOfFree(ptr -> descr, (AsnOptFreeFunc) BiomolDescrFree); AsnGenericUserSeqOfFree(ptr -> residue_graphs, (AsnOptFreeFunc) ResidueGraphFree); return MemFree(ptr); } /************************************************** * * BiostrucResidueGraphSetAsnRead() * **************************************************/ BiostrucResidueGraphSetPtr LIBCALL BiostrucResidueGraphSetAsnRead(AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean isError = FALSE; AsnReadFunc func; BiostrucResidueGraphSetPtr ptr; if (! loaded) { if (! objmmdb1AsnLoad()) { return NULL; } } if (aip == NULL) { return NULL; } if (orig == NULL) { /* BiostrucResidueGraphSet ::= (self contained) */ atp = AsnReadId(aip, amp, BIOSTRUC_RESIDUE_GRAPH_SET); } else { atp = AsnLinkType(orig, BIOSTRUC_RESIDUE_GRAPH_SET); } /* link in local tree */ if (atp == NULL) { return NULL; } ptr = BiostrucResidueGraphSetNew(); if (ptr == NULL) { goto erret; } if (AsnReadVal(aip, atp, &av) <= 0) { /* read the start struct */ goto erret; } atp = AsnReadId(aip,amp, atp); func = NULL; if (atp == BIOSTRUC_RESIDUE_GRAPH_SET_id) { ptr -> id = AsnGenericChoiceSeqOfAsnRead(aip, amp, atp, &isError, (AsnReadFunc) BiostrucIdAsnRead, (AsnOptFreeFunc) BiostrucIdFree); if (isError && ptr -> id == NULL) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == BIOSTRUC_RESIDUE_GRAPH_SET_descr) { ptr -> descr = AsnGenericChoiceSeqOfAsnRead(aip, amp, atp, &isError, (AsnReadFunc) BiomolDescrAsnRead, (AsnOptFreeFunc) BiomolDescrFree); if (isError && ptr -> descr == NULL) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == BIOSTRUC_RESIDUE_GRAPH_SET_residue_graphs) { ptr -> residue_graphs = AsnGenericUserSeqOfAsnRead(aip, amp, atp, &isError, (AsnReadFunc) ResidueGraphAsnRead, (AsnOptFreeFunc) ResidueGraphFree); if (isError && ptr -> residue_graphs == NULL) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } /* end struct */ ret: AsnUnlinkType(orig); /* unlink local tree */ return ptr; erret: aip -> io_failure = TRUE; ptr = BiostrucResidueGraphSetFree(ptr); goto ret; } /************************************************** * * BiostrucResidueGraphSetAsnWrite() * **************************************************/ Boolean LIBCALL BiostrucResidueGraphSetAsnWrite(BiostrucResidueGraphSetPtr ptr, AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean retval = FALSE; if (! loaded) { if (! objmmdb1AsnLoad()) { return FALSE; } } if (aip == NULL) { return FALSE; } atp = AsnLinkType(orig, BIOSTRUC_RESIDUE_GRAPH_SET); /* link local tree */ if (atp == NULL) { return FALSE; } if (ptr == NULL) { AsnNullValueMsg(aip, atp); goto erret; } if (! AsnOpenStruct(aip, atp, (Pointer) ptr)) { goto erret; } AsnGenericChoiceSeqOfAsnWrite(ptr -> id, (AsnWriteFunc) BiostrucIdAsnWrite, aip, BIOSTRUC_RESIDUE_GRAPH_SET_id, BIOSTRUC_RESIDUE_GRAPH_SET_id_E); AsnGenericChoiceSeqOfAsnWrite(ptr -> descr, (AsnWriteFunc) BiomolDescrAsnWrite, aip, BIOSTRUC_RESIDUE_GRAPH_SET_descr, BIOSTRUC_RESIDUE_GRAPH_SET_descr_E); AsnGenericUserSeqOfAsnWrite(ptr -> residue_graphs, (AsnWriteFunc) ResidueGraphAsnWrite, aip, BIOSTRUC_RESIDUE_GRAPH_SET_residue_graphs, BIOSTRUC_RESIDUE_GRAPH_SET_residue_graphs_E); if (! AsnCloseStruct(aip, atp, (Pointer)ptr)) { goto erret; } retval = TRUE; erret: AsnUnlinkType(orig); /* unlink local tree */ return retval; } /************************************************** * * BiostrucDescrFree() * **************************************************/ BiostrucDescrPtr LIBCALL BiostrucDescrFree(ValNodePtr anp) { Pointer pnt; if (anp == NULL) { return NULL; } pnt = anp->data.ptrvalue; switch (anp->choice) { default: break; case BiostrucDescr_name: MemFree(anp -> data.ptrvalue); break; case BiostrucDescr_pdb_comment: MemFree(anp -> data.ptrvalue); break; case BiostrucDescr_other_comment: MemFree(anp -> data.ptrvalue); break; case BiostrucDescr_history: BiostrucHistoryFree(anp -> data.ptrvalue); break; case BiostrucDescr_attribution: PubFree(anp -> data.ptrvalue); break; } return MemFree(anp); } /************************************************** * * BiostrucDescrAsnRead() * **************************************************/ BiostrucDescrPtr LIBCALL BiostrucDescrAsnRead(AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; ValNodePtr anp; Uint1 choice; Boolean isError = FALSE; Boolean nullIsError = FALSE; AsnReadFunc func; if (! loaded) { if (! objmmdb1AsnLoad()) { return NULL; } } if (aip == NULL) { return NULL; } if (orig == NULL) { /* BiostrucDescr ::= (self contained) */ atp = AsnReadId(aip, amp, BIOSTRUC_DESCR); } else { atp = AsnLinkType(orig, BIOSTRUC_DESCR); /* link in local tree */ } if (atp == NULL) { return NULL; } anp = ValNodeNew(NULL); if (anp == NULL) { goto erret; } if (AsnReadVal(aip, atp, &av) <= 0) { /* read the CHOICE or OpenStruct value (nothing) */ goto erret; } func = NULL; atp = AsnReadId(aip, amp, atp); /* find the choice */ if (atp == NULL) { goto erret; } if (atp == BIOSTRUC_DESCR_name) { choice = BiostrucDescr_name; if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } anp->data.ptrvalue = av.ptrvalue; } else if (atp == BIOSTRUC_DESCR_pdb_comment) { choice = BiostrucDescr_pdb_comment; if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } anp->data.ptrvalue = av.ptrvalue; } else if (atp == BIOSTRUC_DESCR_other_comment) { choice = BiostrucDescr_other_comment; if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } anp->data.ptrvalue = av.ptrvalue; } else if (atp == BIOSTRUC_DESCR_history) { choice = BiostrucDescr_history; func = (AsnReadFunc) BiostrucHistoryAsnRead; } else if (atp == BIOSTRUC_DESCR_attribution) { choice = BiostrucDescr_attribution; func = (AsnReadFunc) PubAsnRead; } anp->choice = choice; if (func != NULL) { anp->data.ptrvalue = (* func)(aip, atp); if (aip -> io_failure) goto erret; if (nullIsError && anp->data.ptrvalue == NULL) { goto erret; } } ret: AsnUnlinkType(orig); /* unlink local tree */ return anp; erret: anp = MemFree(anp); aip -> io_failure = TRUE; goto ret; } /************************************************** * * BiostrucDescrAsnWrite() * **************************************************/ Boolean LIBCALL BiostrucDescrAsnWrite(BiostrucDescrPtr anp, AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp, writetype = NULL; Pointer pnt; AsnWriteFunc func = NULL; Boolean retval = FALSE; if (! loaded) { if (! objmmdb1AsnLoad()) return FALSE; } if (aip == NULL) return FALSE; atp = AsnLinkType(orig, BIOSTRUC_DESCR); /* link local tree */ if (atp == NULL) { return FALSE; } if (anp == NULL) { AsnNullValueMsg(aip, atp); goto erret; } av.ptrvalue = (Pointer)anp; if (! AsnWriteChoice(aip, atp, (Int2)anp->choice, &av)) { goto erret; } pnt = anp->data.ptrvalue; switch (anp->choice) { case BiostrucDescr_name: av.ptrvalue = anp->data.ptrvalue; retval = AsnWrite(aip, BIOSTRUC_DESCR_name, &av); break; case BiostrucDescr_pdb_comment: av.ptrvalue = anp->data.ptrvalue; retval = AsnWrite(aip, BIOSTRUC_DESCR_pdb_comment, &av); break; case BiostrucDescr_other_comment: av.ptrvalue = anp->data.ptrvalue; retval = AsnWrite(aip, BIOSTRUC_DESCR_other_comment, &av); break; case BiostrucDescr_history: writetype = BIOSTRUC_DESCR_history; func = (AsnWriteFunc) BiostrucHistoryAsnWrite; break; case BiostrucDescr_attribution: writetype = BIOSTRUC_DESCR_attribution; func = (AsnWriteFunc) PubAsnWrite; break; } if (writetype != NULL) { retval = (* func)(pnt, aip, writetype); /* write it out */ } if (!retval) { goto erret; } retval = TRUE; erret: AsnUnlinkType(orig); /* unlink local tree */ return retval; } /************************************************** * * BiostrucHistoryNew() * **************************************************/ BiostrucHistoryPtr LIBCALL BiostrucHistoryNew(void) { BiostrucHistoryPtr ptr = MemNew((size_t) sizeof(BiostrucHistory)); return ptr; } /************************************************** * * BiostrucHistoryFree() * **************************************************/ BiostrucHistoryPtr LIBCALL BiostrucHistoryFree(BiostrucHistoryPtr ptr) { if(ptr == NULL) { return NULL; } BiostrucReplaceFree(ptr -> replaces); BiostrucReplaceFree(ptr -> replaced_by); BiostrucSourceFree(ptr -> data_source); return MemFree(ptr); } /************************************************** * * BiostrucHistoryAsnRead() * **************************************************/ BiostrucHistoryPtr LIBCALL BiostrucHistoryAsnRead(AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean isError = FALSE; AsnReadFunc func; BiostrucHistoryPtr ptr; if (! loaded) { if (! objmmdb1AsnLoad()) { return NULL; } } if (aip == NULL) { return NULL; } if (orig == NULL) { /* BiostrucHistory ::= (self contained) */ atp = AsnReadId(aip, amp, BIOSTRUC_HISTORY); } else { atp = AsnLinkType(orig, BIOSTRUC_HISTORY); } /* link in local tree */ if (atp == NULL) { return NULL; } ptr = BiostrucHistoryNew(); if (ptr == NULL) { goto erret; } if (AsnReadVal(aip, atp, &av) <= 0) { /* read the start struct */ goto erret; } atp = AsnReadId(aip,amp, atp); func = NULL; if (atp == BIOSTRUC_HISTORY_replaces) { ptr -> replaces = BiostrucReplaceAsnRead(aip, atp); if (aip -> io_failure) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == BIOSTRUC_HISTORY_replaced_by) { ptr -> replaced_by = BiostrucReplaceAsnRead(aip, atp); if (aip -> io_failure) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == BIOSTRUC_HISTORY_data_source) { ptr -> data_source = BiostrucSourceAsnRead(aip, atp); if (aip -> io_failure) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } /* end struct */ ret: AsnUnlinkType(orig); /* unlink local tree */ return ptr; erret: aip -> io_failure = TRUE; ptr = BiostrucHistoryFree(ptr); goto ret; } /************************************************** * * BiostrucHistoryAsnWrite() * **************************************************/ Boolean LIBCALL BiostrucHistoryAsnWrite(BiostrucHistoryPtr ptr, AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean retval = FALSE; if (! loaded) { if (! objmmdb1AsnLoad()) { return FALSE; } } if (aip == NULL) { return FALSE; } atp = AsnLinkType(orig, BIOSTRUC_HISTORY); /* link local tree */ if (atp == NULL) { return FALSE; } if (ptr == NULL) { AsnNullValueMsg(aip, atp); goto erret; } if (! AsnOpenStruct(aip, atp, (Pointer) ptr)) { goto erret; } if (ptr -> replaces != NULL) { if ( ! BiostrucReplaceAsnWrite(ptr -> replaces, aip, BIOSTRUC_HISTORY_replaces)) { goto erret; } } if (ptr -> replaced_by != NULL) { if ( ! BiostrucReplaceAsnWrite(ptr -> replaced_by, aip, BIOSTRUC_HISTORY_replaced_by)) { goto erret; } } if (ptr -> data_source != NULL) { if ( ! BiostrucSourceAsnWrite(ptr -> data_source, aip, BIOSTRUC_HISTORY_data_source)) { goto erret; } } if (! AsnCloseStruct(aip, atp, (Pointer)ptr)) { goto erret; } retval = TRUE; erret: AsnUnlinkType(orig); /* unlink local tree */ return retval; } /************************************************** * * BiostrucReplaceNew() * **************************************************/ BiostrucReplacePtr LIBCALL BiostrucReplaceNew(void) { BiostrucReplacePtr ptr = MemNew((size_t) sizeof(BiostrucReplace)); return ptr; } /************************************************** * * BiostrucReplaceFree() * **************************************************/ BiostrucReplacePtr LIBCALL BiostrucReplaceFree(BiostrucReplacePtr ptr) { if(ptr == NULL) { return NULL; } BiostrucIdFree(ptr -> id); DateFree(ptr -> date); return MemFree(ptr); } /************************************************** * * BiostrucReplaceAsnRead() * **************************************************/ BiostrucReplacePtr LIBCALL BiostrucReplaceAsnRead(AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean isError = FALSE; AsnReadFunc func; BiostrucReplacePtr ptr; if (! loaded) { if (! objmmdb1AsnLoad()) { return NULL; } } if (aip == NULL) { return NULL; } if (orig == NULL) { /* BiostrucReplace ::= (self contained) */ atp = AsnReadId(aip, amp, BIOSTRUC_REPLACE); } else { atp = AsnLinkType(orig, BIOSTRUC_REPLACE); } /* link in local tree */ if (atp == NULL) { return NULL; } ptr = BiostrucReplaceNew(); if (ptr == NULL) { goto erret; } if (AsnReadVal(aip, atp, &av) <= 0) { /* read the start struct */ goto erret; } atp = AsnReadId(aip,amp, atp); func = NULL; if (atp == BIOSTRUC_REPLACE_id) { ptr -> id = BiostrucIdAsnRead(aip, atp); if (aip -> io_failure) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == BIOSTRUC_REPLACE_date) { ptr -> date = DateAsnRead(aip, atp); if (aip -> io_failure) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } /* end struct */ ret: AsnUnlinkType(orig); /* unlink local tree */ return ptr; erret: aip -> io_failure = TRUE; ptr = BiostrucReplaceFree(ptr); goto ret; } /************************************************** * * BiostrucReplaceAsnWrite() * **************************************************/ Boolean LIBCALL BiostrucReplaceAsnWrite(BiostrucReplacePtr ptr, AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean retval = FALSE; if (! loaded) { if (! objmmdb1AsnLoad()) { return FALSE; } } if (aip == NULL) { return FALSE; } atp = AsnLinkType(orig, BIOSTRUC_REPLACE); /* link local tree */ if (atp == NULL) { return FALSE; } if (ptr == NULL) { AsnNullValueMsg(aip, atp); goto erret; } if (! AsnOpenStruct(aip, atp, (Pointer) ptr)) { goto erret; } if (ptr -> id != NULL) { if ( ! BiostrucIdAsnWrite(ptr -> id, aip, BIOSTRUC_REPLACE_id)) { goto erret; } } if (ptr -> date != NULL) { if ( ! DateAsnWrite(ptr -> date, aip, BIOSTRUC_REPLACE_date)) { goto erret; } } if (! AsnCloseStruct(aip, atp, (Pointer)ptr)) { goto erret; } retval = TRUE; erret: AsnUnlinkType(orig); /* unlink local tree */ return retval; } /************************************************** * * BiostrucSourceNew() * **************************************************/ BiostrucSourcePtr LIBCALL BiostrucSourceNew(void) { BiostrucSourcePtr ptr = MemNew((size_t) sizeof(BiostrucSource)); return ptr; } /************************************************** * * BiostrucSourceFree() * **************************************************/ BiostrucSourcePtr LIBCALL BiostrucSourceFree(BiostrucSourcePtr ptr) { if(ptr == NULL) { return NULL; } MemFree(ptr -> name_of_database); VersionOfDatabase_version_of_databaseFree(ptr -> VersionOfDatabase_version_of_database); BiostrucIdFree(ptr -> database_entry_id); DateFree(ptr -> database_entry_date); AsnGenericBaseSeqOfFree(ptr -> database_entry_history ,ASNCODE_PTRVAL_SLOT); return MemFree(ptr); } /************************************************** * * VersionOfDatabase_version_of_databaseFree() * **************************************************/ static VersionOfDatabase_version_of_databasePtr LIBCALL VersionOfDatabase_version_of_databaseFree(ValNodePtr anp) { Pointer pnt; if (anp == NULL) { return NULL; } pnt = anp->data.ptrvalue; switch (anp->choice) { default: break; case VersionOfDatabase_version_of_database_release_date: DateFree(anp -> data.ptrvalue); break; case VersionOfDatabase_version_of_database_release_code: MemFree(anp -> data.ptrvalue); break; } return MemFree(anp); } /************************************************** * * BiostrucSourceAsnRead() * **************************************************/ BiostrucSourcePtr LIBCALL BiostrucSourceAsnRead(AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean isError = FALSE; AsnReadFunc func; BiostrucSourcePtr ptr; if (! loaded) { if (! objmmdb1AsnLoad()) { return NULL; } } if (aip == NULL) { return NULL; } if (orig == NULL) { /* BiostrucSource ::= (self contained) */ atp = AsnReadId(aip, amp, BIOSTRUC_SOURCE); } else { atp = AsnLinkType(orig, BIOSTRUC_SOURCE); } /* link in local tree */ if (atp == NULL) { return NULL; } ptr = BiostrucSourceNew(); if (ptr == NULL) { goto erret; } if (AsnReadVal(aip, atp, &av) <= 0) { /* read the start struct */ goto erret; } atp = AsnReadId(aip,amp, atp); func = NULL; if (atp == BIOSTRUC_SOURCE_name_of_database) { if ( AsnReadVal(aip, atp, &av) <= 0) { goto erret; } ptr -> name_of_database = av.ptrvalue; atp = AsnReadId(aip,amp, atp); } if (atp == BIOSTRUC_SOURCE_version_of_database) { ptr -> VersionOfDatabase_version_of_database = VersionOfDatabase_version_of_databaseAsnRead(aip, atp); if (aip -> io_failure) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == BIOSTRUC_SOURCE_database_entry_id) { ptr -> database_entry_id = BiostrucIdAsnRead(aip, atp); if (aip -> io_failure) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == BIOSTRUC_SOURCE_database_entry_date) { ptr -> database_entry_date = DateAsnRead(aip, atp); if (aip -> io_failure) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == BIOSTRUC_SOURCE_database_entry_history) { ptr -> database_entry_history = AsnGenericBaseSeqOfAsnRead(aip, amp, atp, ASNCODE_PTRVAL_SLOT, &isError); if (isError && ptr -> database_entry_history == NULL) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } /* end struct */ ret: AsnUnlinkType(orig); /* unlink local tree */ return ptr; erret: aip -> io_failure = TRUE; ptr = BiostrucSourceFree(ptr); goto ret; } /************************************************** * * VersionOfDatabase_version_of_databaseAsnRead() * **************************************************/ static VersionOfDatabase_version_of_databasePtr LIBCALL VersionOfDatabase_version_of_databaseAsnRead(AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; ValNodePtr anp; Uint1 choice; Boolean isError = FALSE; Boolean nullIsError = FALSE; AsnReadFunc func; if (! loaded) { if (! objmmdb1AsnLoad()) { return NULL; } } if (aip == NULL) { return NULL; } if (orig == NULL) { /* VersionOfDatabase_version_of_database ::= (self contained) */ atp = AsnReadId(aip, amp, BIOSTRUC_SOURCE_version_of_database); } else { atp = AsnLinkType(orig, BIOSTRUC_SOURCE_version_of_database); /* link in local tree */ } if (atp == NULL) { return NULL; } anp = ValNodeNew(NULL); if (anp == NULL) { goto erret; } if (AsnReadVal(aip, atp, &av) <= 0) { /* read the CHOICE or OpenStruct value (nothing) */ goto erret; } func = NULL; atp = AsnReadId(aip, amp, atp); /* find the choice */ if (atp == NULL) { goto erret; } if (atp == BIOSTRUC_SOURCE_version_of_database_release_date) { choice = VersionOfDatabase_version_of_database_release_date; func = (AsnReadFunc) DateAsnRead; } else if (atp == BIOSTRUC_SOURCE_version_of_database_release_code) { choice = VersionOfDatabase_version_of_database_release_code; if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } anp->data.ptrvalue = av.ptrvalue; } anp->choice = choice; if (func != NULL) { anp->data.ptrvalue = (* func)(aip, atp); if (aip -> io_failure) goto erret; if (nullIsError && anp->data.ptrvalue == NULL) { goto erret; } } ret: AsnUnlinkType(orig); /* unlink local tree */ return anp; erret: anp = MemFree(anp); aip -> io_failure = TRUE; goto ret; } /************************************************** * * BiostrucSourceAsnWrite() * **************************************************/ Boolean LIBCALL BiostrucSourceAsnWrite(BiostrucSourcePtr ptr, AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean retval = FALSE; if (! loaded) { if (! objmmdb1AsnLoad()) { return FALSE; } } if (aip == NULL) { return FALSE; } atp = AsnLinkType(orig, BIOSTRUC_SOURCE); /* link local tree */ if (atp == NULL) { return FALSE; } if (ptr == NULL) { AsnNullValueMsg(aip, atp); goto erret; } if (! AsnOpenStruct(aip, atp, (Pointer) ptr)) { goto erret; } if (ptr -> name_of_database != NULL) { av.ptrvalue = ptr -> name_of_database; retval = AsnWrite(aip, BIOSTRUC_SOURCE_name_of_database, &av); } if (ptr -> VersionOfDatabase_version_of_database != NULL) { if ( ! VersionOfDatabase_version_of_databaseAsnWrite(ptr -> VersionOfDatabase_version_of_database, aip, BIOSTRUC_SOURCE_version_of_database)) { goto erret; } } if (ptr -> database_entry_id != NULL) { if ( ! BiostrucIdAsnWrite(ptr -> database_entry_id, aip, BIOSTRUC_SOURCE_database_entry_id)) { goto erret; } } if (ptr -> database_entry_date != NULL) { if ( ! DateAsnWrite(ptr -> database_entry_date, aip, BIOSTRUC_SOURCE_database_entry_date)) { goto erret; } } retval = AsnGenericBaseSeqOfAsnWrite(ptr -> database_entry_history ,ASNCODE_PTRVAL_SLOT, aip, BIOSTRUC_SOURCE_database_entry_history, BIOSTRUC_SOURCE_database_entry_history_E); if (! AsnCloseStruct(aip, atp, (Pointer)ptr)) { goto erret; } retval = TRUE; erret: AsnUnlinkType(orig); /* unlink local tree */ return retval; } /************************************************** * * VersionOfDatabase_version_of_databaseAsnWrite() * **************************************************/ static Boolean LIBCALL VersionOfDatabase_version_of_databaseAsnWrite(VersionOfDatabase_version_of_databasePtr anp, AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp, writetype = NULL; Pointer pnt; AsnWriteFunc func = NULL; Boolean retval = FALSE; if (! loaded) { if (! objmmdb1AsnLoad()) return FALSE; } if (aip == NULL) return FALSE; atp = AsnLinkType(orig, BIOSTRUC_SOURCE_version_of_database); /* link local tree */ if (atp == NULL) { return FALSE; } if (anp == NULL) { AsnNullValueMsg(aip, atp); goto erret; } av.ptrvalue = (Pointer)anp; if (! AsnWriteChoice(aip, atp, (Int2)anp->choice, &av)) { goto erret; } pnt = anp->data.ptrvalue; switch (anp->choice) { case VersionOfDatabase_version_of_database_release_date: writetype = BIOSTRUC_SOURCE_version_of_database_release_date; func = (AsnWriteFunc) DateAsnWrite; break; case VersionOfDatabase_version_of_database_release_code: av.ptrvalue = anp->data.ptrvalue; retval = AsnWrite(aip, BIOSTRUC_SOURCE_version_of_database_release_code, &av); break; } if (writetype != NULL) { retval = (* func)(pnt, aip, writetype); /* write it out */ } if (!retval) { goto erret; } retval = TRUE; erret: AsnUnlinkType(orig); /* unlink local tree */ return retval; } /************************************************** * * BiostrucGraphNew() * **************************************************/ BiostrucGraphPtr LIBCALL BiostrucGraphNew(void) { BiostrucGraphPtr ptr = MemNew((size_t) sizeof(BiostrucGraph)); return ptr; } /************************************************** * * BiostrucGraphFree() * **************************************************/ BiostrucGraphPtr LIBCALL BiostrucGraphFree(BiostrucGraphPtr ptr) { if(ptr == NULL) { return NULL; } AsnGenericChoiceSeqOfFree(ptr -> descr, (AsnOptFreeFunc) BiomolDescrFree); AsnGenericUserSeqOfFree(ptr -> molecule_graphs, (AsnOptFreeFunc) MoleculeGraphFree); AsnGenericUserSeqOfFree(ptr -> inter_molecule_bonds, (AsnOptFreeFunc) InterResidueBondFree); AsnGenericUserSeqOfFree(ptr -> residue_graphs, (AsnOptFreeFunc) ResidueGraphFree); return MemFree(ptr); } /************************************************** * * BiostrucGraphAsnRead() * **************************************************/ BiostrucGraphPtr LIBCALL BiostrucGraphAsnRead(AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean isError = FALSE; AsnReadFunc func; BiostrucGraphPtr ptr; if (! loaded) { if (! objmmdb1AsnLoad()) { return NULL; } } if (aip == NULL) { return NULL; } if (orig == NULL) { /* BiostrucGraph ::= (self contained) */ atp = AsnReadId(aip, amp, BIOSTRUC_GRAPH); } else { atp = AsnLinkType(orig, BIOSTRUC_GRAPH); } /* link in local tree */ if (atp == NULL) { return NULL; } ptr = BiostrucGraphNew(); if (ptr == NULL) { goto erret; } if (AsnReadVal(aip, atp, &av) <= 0) { /* read the start struct */ goto erret; } atp = AsnReadId(aip,amp, atp); func = NULL; if (atp == BIOSTRUC_GRAPH_descr) { ptr -> descr = AsnGenericChoiceSeqOfAsnRead(aip, amp, atp, &isError, (AsnReadFunc) BiomolDescrAsnRead, (AsnOptFreeFunc) BiomolDescrFree); if (isError && ptr -> descr == NULL) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == BIOSTRUC_GRAPH_molecule_graphs) { ptr -> molecule_graphs = AsnGenericUserSeqOfAsnRead(aip, amp, atp, &isError, (AsnReadFunc) MoleculeGraphAsnRead, (AsnOptFreeFunc) MoleculeGraphFree); if (isError && ptr -> molecule_graphs == NULL) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == BIOSTRUC_GRAPH_inter_molecule_bonds) { ptr -> inter_molecule_bonds = AsnGenericUserSeqOfAsnRead(aip, amp, atp, &isError, (AsnReadFunc) InterResidueBondAsnRead, (AsnOptFreeFunc) InterResidueBondFree); if (isError && ptr -> inter_molecule_bonds == NULL) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == BIOSTRUC_GRAPH_residue_graphs) { ptr -> residue_graphs = AsnGenericUserSeqOfAsnRead(aip, amp, atp, &isError, (AsnReadFunc) ResidueGraphAsnRead, (AsnOptFreeFunc) ResidueGraphFree); if (isError && ptr -> residue_graphs == NULL) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } /* end struct */ ret: AsnUnlinkType(orig); /* unlink local tree */ return ptr; erret: aip -> io_failure = TRUE; ptr = BiostrucGraphFree(ptr); goto ret; } /************************************************** * * BiostrucGraphAsnWrite() * **************************************************/ Boolean LIBCALL BiostrucGraphAsnWrite(BiostrucGraphPtr ptr, AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean retval = FALSE; if (! loaded) { if (! objmmdb1AsnLoad()) { return FALSE; } } if (aip == NULL) { return FALSE; } atp = AsnLinkType(orig, BIOSTRUC_GRAPH); /* link local tree */ if (atp == NULL) { return FALSE; } if (ptr == NULL) { AsnNullValueMsg(aip, atp); goto erret; } if (! AsnOpenStruct(aip, atp, (Pointer) ptr)) { goto erret; } AsnGenericChoiceSeqOfAsnWrite(ptr -> descr, (AsnWriteFunc) BiomolDescrAsnWrite, aip, BIOSTRUC_GRAPH_descr, BIOSTRUC_GRAPH_descr_E); AsnGenericUserSeqOfAsnWrite(ptr -> molecule_graphs, (AsnWriteFunc) MoleculeGraphAsnWrite, aip, BIOSTRUC_GRAPH_molecule_graphs, BIOSTRUC_GRAPH_molecule_graphs_E); AsnGenericUserSeqOfAsnWrite(ptr -> inter_molecule_bonds, (AsnWriteFunc) InterResidueBondAsnWrite, aip, BIOSTRUC_GRAPH_inter_molecule_bonds, BIOSTRUC_GRAPH_inter_molecule_bonds_E); AsnGenericUserSeqOfAsnWrite(ptr -> residue_graphs, (AsnWriteFunc) ResidueGraphAsnWrite, aip, BIOSTRUC_GRAPH_residue_graphs, BIOSTRUC_GRAPH_residue_graphs_E); if (! AsnCloseStruct(aip, atp, (Pointer)ptr)) { goto erret; } retval = TRUE; erret: AsnUnlinkType(orig); /* unlink local tree */ return retval; } /************************************************** * * BiomolDescrFree() * **************************************************/ BiomolDescrPtr LIBCALL BiomolDescrFree(ValNodePtr anp) { Pointer pnt; if (anp == NULL) { return NULL; } pnt = anp->data.ptrvalue; switch (anp->choice) { default: break; case BiomolDescr_name: MemFree(anp -> data.ptrvalue); break; case BiomolDescr_pdb_class: MemFree(anp -> data.ptrvalue); break; case BiomolDescr_pdb_source: MemFree(anp -> data.ptrvalue); break; case BiomolDescr_pdb_comment: MemFree(anp -> data.ptrvalue); break; case BiomolDescr_other_comment: MemFree(anp -> data.ptrvalue); break; case BiomolDescr_organism: BioSourceFree(anp -> data.ptrvalue); break; case BiomolDescr_attribution: PubFree(anp -> data.ptrvalue); break; } return MemFree(anp); } /************************************************** * * BiomolDescrAsnRead() * **************************************************/ BiomolDescrPtr LIBCALL BiomolDescrAsnRead(AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; ValNodePtr anp; Uint1 choice; Boolean isError = FALSE; Boolean nullIsError = FALSE; AsnReadFunc func; if (! loaded) { if (! objmmdb1AsnLoad()) { return NULL; } } if (aip == NULL) { return NULL; } if (orig == NULL) { /* BiomolDescr ::= (self contained) */ atp = AsnReadId(aip, amp, BIOMOL_DESCR); } else { atp = AsnLinkType(orig, BIOMOL_DESCR); /* link in local tree */ } if (atp == NULL) { return NULL; } anp = ValNodeNew(NULL); if (anp == NULL) { goto erret; } if (AsnReadVal(aip, atp, &av) <= 0) { /* read the CHOICE or OpenStruct value (nothing) */ goto erret; } func = NULL; atp = AsnReadId(aip, amp, atp); /* find the choice */ if (atp == NULL) { goto erret; } if (atp == BIOMOL_DESCR_name) { choice = BiomolDescr_name; if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } anp->data.ptrvalue = av.ptrvalue; } else if (atp == BIOMOL_DESCR_pdb_class) { choice = BiomolDescr_pdb_class; if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } anp->data.ptrvalue = av.ptrvalue; } else if (atp == BIOMOL_DESCR_pdb_source) { choice = BiomolDescr_pdb_source; if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } anp->data.ptrvalue = av.ptrvalue; } else if (atp == BIOMOL_DESCR_pdb_comment) { choice = BiomolDescr_pdb_comment; if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } anp->data.ptrvalue = av.ptrvalue; } else if (atp == BIOMOL_DESCR_other_comment) { choice = BiomolDescr_other_comment; if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } anp->data.ptrvalue = av.ptrvalue; } else if (atp == BIOMOL_DESCR_organism) { choice = BiomolDescr_organism; func = (AsnReadFunc) BioSourceAsnRead; } else if (atp == BIOMOL_DESCR_attribution) { choice = BiomolDescr_attribution; func = (AsnReadFunc) PubAsnRead; } else if (atp == BIOMOL_DESCR_assembly_type) { choice = BiomolDescr_assembly_type; if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } anp->data.intvalue = av.intvalue; } else if (atp == BIOMOL_DESCR_molecule_type) { choice = BiomolDescr_molecule_type; if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } anp->data.intvalue = av.intvalue; } anp->choice = choice; if (func != NULL) { anp->data.ptrvalue = (* func)(aip, atp); if (aip -> io_failure) goto erret; if (nullIsError && anp->data.ptrvalue == NULL) { goto erret; } } ret: AsnUnlinkType(orig); /* unlink local tree */ return anp; erret: anp = MemFree(anp); aip -> io_failure = TRUE; goto ret; } /************************************************** * * BiomolDescrAsnWrite() * **************************************************/ Boolean LIBCALL BiomolDescrAsnWrite(BiomolDescrPtr anp, AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp, writetype = NULL; Pointer pnt; AsnWriteFunc func = NULL; Boolean retval = FALSE; if (! loaded) { if (! objmmdb1AsnLoad()) return FALSE; } if (aip == NULL) return FALSE; atp = AsnLinkType(orig, BIOMOL_DESCR); /* link local tree */ if (atp == NULL) { return FALSE; } if (anp == NULL) { AsnNullValueMsg(aip, atp); goto erret; } av.ptrvalue = (Pointer)anp; if (! AsnWriteChoice(aip, atp, (Int2)anp->choice, &av)) { goto erret; } pnt = anp->data.ptrvalue; switch (anp->choice) { case BiomolDescr_name: av.ptrvalue = anp->data.ptrvalue; retval = AsnWrite(aip, BIOMOL_DESCR_name, &av); break; case BiomolDescr_pdb_class: av.ptrvalue = anp->data.ptrvalue; retval = AsnWrite(aip, BIOMOL_DESCR_pdb_class, &av); break; case BiomolDescr_pdb_source: av.ptrvalue = anp->data.ptrvalue; retval = AsnWrite(aip, BIOMOL_DESCR_pdb_source, &av); break; case BiomolDescr_pdb_comment: av.ptrvalue = anp->data.ptrvalue; retval = AsnWrite(aip, BIOMOL_DESCR_pdb_comment, &av); break; case BiomolDescr_other_comment: av.ptrvalue = anp->data.ptrvalue; retval = AsnWrite(aip, BIOMOL_DESCR_other_comment, &av); break; case BiomolDescr_organism: writetype = BIOMOL_DESCR_organism; func = (AsnWriteFunc) BioSourceAsnWrite; break; case BiomolDescr_attribution: writetype = BIOMOL_DESCR_attribution; func = (AsnWriteFunc) PubAsnWrite; break; case BiomolDescr_assembly_type: av.intvalue = anp->data.intvalue; retval = AsnWrite(aip, BIOMOL_DESCR_assembly_type, &av); break; case BiomolDescr_molecule_type: av.intvalue = anp->data.intvalue; retval = AsnWrite(aip, BIOMOL_DESCR_molecule_type, &av); break; } if (writetype != NULL) { retval = (* func)(pnt, aip, writetype); /* write it out */ } if (!retval) { goto erret; } retval = TRUE; erret: AsnUnlinkType(orig); /* unlink local tree */ return retval; } /************************************************** * * ResidueGraphNew() * **************************************************/ ResidueGraphPtr LIBCALL ResidueGraphNew(void) { ResidueGraphPtr ptr = MemNew((size_t) sizeof(ResidueGraph)); return ptr; } /************************************************** * * ResidueGraphFree() * **************************************************/ ResidueGraphPtr LIBCALL ResidueGraphFree(ResidueGraphPtr ptr) { if(ptr == NULL) { return NULL; } AsnGenericChoiceSeqOfFree(ptr -> descr, (AsnOptFreeFunc) BiomolDescrFree); AsnGenericBaseSeqOfFree(ptr -> iupac_code ,ASNCODE_PTRVAL_SLOT); AsnGenericUserSeqOfFree(ptr -> atoms, (AsnOptFreeFunc) AtomFree); AsnGenericUserSeqOfFree(ptr -> bonds, (AsnOptFreeFunc) IntraResidueBondFree); AsnGenericUserSeqOfFree(ptr -> chiral_centers, (AsnOptFreeFunc) ChiralCenterFree); return MemFree(ptr); } /************************************************** * * ResidueGraphAsnRead() * **************************************************/ ResidueGraphPtr LIBCALL ResidueGraphAsnRead(AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean isError = FALSE; AsnReadFunc func; ResidueGraphPtr ptr; if (! loaded) { if (! objmmdb1AsnLoad()) { return NULL; } } if (aip == NULL) { return NULL; } if (orig == NULL) { /* ResidueGraph ::= (self contained) */ atp = AsnReadId(aip, amp, RESIDUE_GRAPH); } else { atp = AsnLinkType(orig, RESIDUE_GRAPH); } /* link in local tree */ if (atp == NULL) { return NULL; } ptr = ResidueGraphNew(); if (ptr == NULL) { goto erret; } if (AsnReadVal(aip, atp, &av) <= 0) { /* read the start struct */ goto erret; } atp = AsnReadId(aip,amp, atp); func = NULL; if (atp == RESIDUE_GRAPH_id) { if ( AsnReadVal(aip, atp, &av) <= 0) { goto erret; } ptr -> id = av.intvalue; atp = AsnReadId(aip,amp, atp); } if (atp == RESIDUE_GRAPH_descr) { ptr -> descr = AsnGenericChoiceSeqOfAsnRead(aip, amp, atp, &isError, (AsnReadFunc) BiomolDescrAsnRead, (AsnOptFreeFunc) BiomolDescrFree); if (isError && ptr -> descr == NULL) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == RESIDUE_GRAPH_residue_type) { if ( AsnReadVal(aip, atp, &av) <= 0) { goto erret; } ptr -> residue_type = av.intvalue; ptr -> OBbits__ |= 1<<0; atp = AsnReadId(aip,amp, atp); } if (atp == RESIDUE_GRAPH_iupac_code) { ptr -> iupac_code = AsnGenericBaseSeqOfAsnRead(aip, amp, atp, ASNCODE_PTRVAL_SLOT, &isError); if (isError && ptr -> iupac_code == NULL) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == RESIDUE_GRAPH_atoms) { ptr -> atoms = AsnGenericUserSeqOfAsnRead(aip, amp, atp, &isError, (AsnReadFunc) AtomAsnRead, (AsnOptFreeFunc) AtomFree); if (isError && ptr -> atoms == NULL) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == RESIDUE_GRAPH_bonds) { ptr -> bonds = AsnGenericUserSeqOfAsnRead(aip, amp, atp, &isError, (AsnReadFunc) IntraResidueBondAsnRead, (AsnOptFreeFunc) IntraResidueBondFree); if (isError && ptr -> bonds == NULL) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == RESIDUE_GRAPH_chiral_centers) { ptr -> chiral_centers = AsnGenericUserSeqOfAsnRead(aip, amp, atp, &isError, (AsnReadFunc) ChiralCenterAsnRead, (AsnOptFreeFunc) ChiralCenterFree); if (isError && ptr -> chiral_centers == NULL) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } /* end struct */ ret: AsnUnlinkType(orig); /* unlink local tree */ return ptr; erret: aip -> io_failure = TRUE; ptr = ResidueGraphFree(ptr); goto ret; } /************************************************** * * ResidueGraphAsnWrite() * **************************************************/ Boolean LIBCALL ResidueGraphAsnWrite(ResidueGraphPtr ptr, AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean retval = FALSE; if (! loaded) { if (! objmmdb1AsnLoad()) { return FALSE; } } if (aip == NULL) { return FALSE; } atp = AsnLinkType(orig, RESIDUE_GRAPH); /* link local tree */ if (atp == NULL) { return FALSE; } if (ptr == NULL) { AsnNullValueMsg(aip, atp); goto erret; } if (! AsnOpenStruct(aip, atp, (Pointer) ptr)) { goto erret; } av.intvalue = ptr -> id; retval = AsnWrite(aip, RESIDUE_GRAPH_id, &av); AsnGenericChoiceSeqOfAsnWrite(ptr -> descr, (AsnWriteFunc) BiomolDescrAsnWrite, aip, RESIDUE_GRAPH_descr, RESIDUE_GRAPH_descr_E); if (ptr -> residue_type || (ptr -> OBbits__ & (1<<0) )){ av.intvalue = ptr -> residue_type; retval = AsnWrite(aip, RESIDUE_GRAPH_residue_type, &av); } retval = AsnGenericBaseSeqOfAsnWrite(ptr -> iupac_code ,ASNCODE_PTRVAL_SLOT, aip, RESIDUE_GRAPH_iupac_code, RESIDUE_GRAPH_iupac_code_E); AsnGenericUserSeqOfAsnWrite(ptr -> atoms, (AsnWriteFunc) AtomAsnWrite, aip, RESIDUE_GRAPH_atoms, RESIDUE_GRAPH_atoms_E); AsnGenericUserSeqOfAsnWrite(ptr -> bonds, (AsnWriteFunc) IntraResidueBondAsnWrite, aip, RESIDUE_GRAPH_bonds, RESIDUE_GRAPH_bonds_E); AsnGenericUserSeqOfAsnWrite(ptr -> chiral_centers, (AsnWriteFunc) ChiralCenterAsnWrite, aip, RESIDUE_GRAPH_chiral_centers, RESIDUE_GRAPH_chiral_centers_E); if (! AsnCloseStruct(aip, atp, (Pointer)ptr)) { goto erret; } retval = TRUE; erret: AsnUnlinkType(orig); /* unlink local tree */ return retval; } /************************************************** * * MoleculeGraphNew() * **************************************************/ MoleculeGraphPtr LIBCALL MoleculeGraphNew(void) { MoleculeGraphPtr ptr = MemNew((size_t) sizeof(MoleculeGraph)); return ptr; } /************************************************** * * MoleculeGraphFree() * **************************************************/ MoleculeGraphPtr LIBCALL MoleculeGraphFree(MoleculeGraphPtr ptr) { if(ptr == NULL) { return NULL; } AsnGenericChoiceSeqOfFree(ptr -> descr, (AsnOptFreeFunc) BiomolDescrFree); SeqIdFree(ptr -> seq_id); AsnGenericUserSeqOfFree(ptr -> residue_sequence, (AsnOptFreeFunc) ResidueFree); AsnGenericUserSeqOfFree(ptr -> inter_residue_bonds, (AsnOptFreeFunc) InterResidueBondFree); return MemFree(ptr); } /************************************************** * * MoleculeGraphAsnRead() * **************************************************/ MoleculeGraphPtr LIBCALL MoleculeGraphAsnRead(AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean isError = FALSE; AsnReadFunc func; MoleculeGraphPtr ptr; if (! loaded) { if (! objmmdb1AsnLoad()) { return NULL; } } if (aip == NULL) { return NULL; } if (orig == NULL) { /* MoleculeGraph ::= (self contained) */ atp = AsnReadId(aip, amp, MOLECULE_GRAPH); } else { atp = AsnLinkType(orig, MOLECULE_GRAPH); } /* link in local tree */ if (atp == NULL) { return NULL; } ptr = MoleculeGraphNew(); if (ptr == NULL) { goto erret; } if (AsnReadVal(aip, atp, &av) <= 0) { /* read the start struct */ goto erret; } atp = AsnReadId(aip,amp, atp); func = NULL; if (atp == MOLECULE_GRAPH_id) { if ( AsnReadVal(aip, atp, &av) <= 0) { goto erret; } ptr -> id = av.intvalue; atp = AsnReadId(aip,amp, atp); } if (atp == MOLECULE_GRAPH_descr) { ptr -> descr = AsnGenericChoiceSeqOfAsnRead(aip, amp, atp, &isError, (AsnReadFunc) BiomolDescrAsnRead, (AsnOptFreeFunc) BiomolDescrFree); if (isError && ptr -> descr == NULL) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == MOLECULE_GRAPH_seq_id) { ptr -> seq_id = SeqIdAsnRead(aip, atp); if (aip -> io_failure) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == MOLECULE_GRAPH_residue_sequence) { ptr -> residue_sequence = AsnGenericUserSeqOfAsnRead(aip, amp, atp, &isError, (AsnReadFunc) ResidueAsnRead, (AsnOptFreeFunc) ResidueFree); if (isError && ptr -> residue_sequence == NULL) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == MOLECULE_GRAPH_inter_residue_bonds) { ptr -> inter_residue_bonds = AsnGenericUserSeqOfAsnRead(aip, amp, atp, &isError, (AsnReadFunc) InterResidueBondAsnRead, (AsnOptFreeFunc) InterResidueBondFree); if (isError && ptr -> inter_residue_bonds == NULL) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } /* end struct */ ret: AsnUnlinkType(orig); /* unlink local tree */ return ptr; erret: aip -> io_failure = TRUE; ptr = MoleculeGraphFree(ptr); goto ret; } /************************************************** * * MoleculeGraphAsnWrite() * **************************************************/ Boolean LIBCALL MoleculeGraphAsnWrite(MoleculeGraphPtr ptr, AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean retval = FALSE; if (! loaded) { if (! objmmdb1AsnLoad()) { return FALSE; } } if (aip == NULL) { return FALSE; } atp = AsnLinkType(orig, MOLECULE_GRAPH); /* link local tree */ if (atp == NULL) { return FALSE; } if (ptr == NULL) { AsnNullValueMsg(aip, atp); goto erret; } if (! AsnOpenStruct(aip, atp, (Pointer) ptr)) { goto erret; } av.intvalue = ptr -> id; retval = AsnWrite(aip, MOLECULE_GRAPH_id, &av); AsnGenericChoiceSeqOfAsnWrite(ptr -> descr, (AsnWriteFunc) BiomolDescrAsnWrite, aip, MOLECULE_GRAPH_descr, MOLECULE_GRAPH_descr_E); if (ptr -> seq_id != NULL) { if ( ! SeqIdAsnWrite(ptr -> seq_id, aip, MOLECULE_GRAPH_seq_id)) { goto erret; } } AsnGenericUserSeqOfAsnWrite(ptr -> residue_sequence, (AsnWriteFunc) ResidueAsnWrite, aip, MOLECULE_GRAPH_residue_sequence, MOLECULE_GRAPH_residue_sequence_E); AsnGenericUserSeqOfAsnWrite(ptr -> inter_residue_bonds, (AsnWriteFunc) InterResidueBondAsnWrite, aip, MOLECULE_GRAPH_inter_residue_bonds, MOLECULE_GRAPH_inter_residue_bonds_E); if (! AsnCloseStruct(aip, atp, (Pointer)ptr)) { goto erret; } retval = TRUE; erret: AsnUnlinkType(orig); /* unlink local tree */ return retval; } /************************************************** * * InterResidueBondNew() * **************************************************/ InterResidueBondPtr LIBCALL InterResidueBondNew(void) { InterResidueBondPtr ptr = MemNew((size_t) sizeof(InterResidueBond)); return ptr; } /************************************************** * * InterResidueBondFree() * **************************************************/ InterResidueBondPtr LIBCALL InterResidueBondFree(InterResidueBondPtr ptr) { if(ptr == NULL) { return NULL; } AtomPntrFree(ptr -> atom_id_1); AtomPntrFree(ptr -> atom_id_2); return MemFree(ptr); } /************************************************** * * InterResidueBondAsnRead() * **************************************************/ InterResidueBondPtr LIBCALL InterResidueBondAsnRead(AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean isError = FALSE; AsnReadFunc func; InterResidueBondPtr ptr; if (! loaded) { if (! objmmdb1AsnLoad()) { return NULL; } } if (aip == NULL) { return NULL; } if (orig == NULL) { /* InterResidueBond ::= (self contained) */ atp = AsnReadId(aip, amp, INTER_RESIDUE_BOND); } else { atp = AsnLinkType(orig, INTER_RESIDUE_BOND); } /* link in local tree */ if (atp == NULL) { return NULL; } ptr = InterResidueBondNew(); if (ptr == NULL) { goto erret; } if (AsnReadVal(aip, atp, &av) <= 0) { /* read the start struct */ goto erret; } atp = AsnReadId(aip,amp, atp); func = NULL; if (atp == INTER_RESIDUE_BOND_atom_id_1) { ptr -> atom_id_1 = AtomPntrAsnRead(aip, atp); if (aip -> io_failure) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == INTER_RESIDUE_BOND_atom_id_2) { ptr -> atom_id_2 = AtomPntrAsnRead(aip, atp); if (aip -> io_failure) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == INTER_RESIDUE_BOND_bond_order) { if ( AsnReadVal(aip, atp, &av) <= 0) { goto erret; } ptr -> bond_order = av.intvalue; ptr -> OBbits__ |= 1<<0; atp = AsnReadId(aip,amp, atp); } if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } /* end struct */ ret: AsnUnlinkType(orig); /* unlink local tree */ return ptr; erret: aip -> io_failure = TRUE; ptr = InterResidueBondFree(ptr); goto ret; } /************************************************** * * InterResidueBondAsnWrite() * **************************************************/ Boolean LIBCALL InterResidueBondAsnWrite(InterResidueBondPtr ptr, AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean retval = FALSE; if (! loaded) { if (! objmmdb1AsnLoad()) { return FALSE; } } if (aip == NULL) { return FALSE; } atp = AsnLinkType(orig, INTER_RESIDUE_BOND); /* link local tree */ if (atp == NULL) { return FALSE; } if (ptr == NULL) { AsnNullValueMsg(aip, atp); goto erret; } if (! AsnOpenStruct(aip, atp, (Pointer) ptr)) { goto erret; } if (ptr -> atom_id_1 != NULL) { if ( ! AtomPntrAsnWrite(ptr -> atom_id_1, aip, INTER_RESIDUE_BOND_atom_id_1)) { goto erret; } } if (ptr -> atom_id_2 != NULL) { if ( ! AtomPntrAsnWrite(ptr -> atom_id_2, aip, INTER_RESIDUE_BOND_atom_id_2)) { goto erret; } } if (ptr -> bond_order || (ptr -> OBbits__ & (1<<0) )){ av.intvalue = ptr -> bond_order; retval = AsnWrite(aip, INTER_RESIDUE_BOND_bond_order, &av); } if (! AsnCloseStruct(aip, atp, (Pointer)ptr)) { goto erret; } retval = TRUE; erret: AsnUnlinkType(orig); /* unlink local tree */ return retval; } /************************************************** * * ResidueNew() * **************************************************/ ResiduePtr LIBCALL ResidueNew(void) { ResiduePtr ptr = MemNew((size_t) sizeof(Residue)); return ptr; } /************************************************** * * ResidueFree() * **************************************************/ ResiduePtr LIBCALL ResidueFree(ResiduePtr ptr) { if(ptr == NULL) { return NULL; } MemFree(ptr -> name); ResidueGraphPntrFree(ptr -> residue_graph); return MemFree(ptr); } /************************************************** * * ResidueAsnRead() * **************************************************/ ResiduePtr LIBCALL ResidueAsnRead(AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean isError = FALSE; AsnReadFunc func; ResiduePtr ptr; if (! loaded) { if (! objmmdb1AsnLoad()) { return NULL; } } if (aip == NULL) { return NULL; } if (orig == NULL) { /* Residue ::= (self contained) */ atp = AsnReadId(aip, amp, RESIDUE); } else { atp = AsnLinkType(orig, RESIDUE); } /* link in local tree */ if (atp == NULL) { return NULL; } ptr = ResidueNew(); if (ptr == NULL) { goto erret; } if (AsnReadVal(aip, atp, &av) <= 0) { /* read the start struct */ goto erret; } atp = AsnReadId(aip,amp, atp); func = NULL; if (atp == RESIDUE_id) { if ( AsnReadVal(aip, atp, &av) <= 0) { goto erret; } ptr -> id = av.intvalue; atp = AsnReadId(aip,amp, atp); } if (atp == RESIDUE_name) { if ( AsnReadVal(aip, atp, &av) <= 0) { goto erret; } ptr -> name = av.ptrvalue; atp = AsnReadId(aip,amp, atp); } if (atp == RESIDUE_residue_graph) { ptr -> residue_graph = ResidueGraphPntrAsnRead(aip, atp); if (aip -> io_failure) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } /* end struct */ ret: AsnUnlinkType(orig); /* unlink local tree */ return ptr; erret: aip -> io_failure = TRUE; ptr = ResidueFree(ptr); goto ret; } /************************************************** * * ResidueAsnWrite() * **************************************************/ Boolean LIBCALL ResidueAsnWrite(ResiduePtr ptr, AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean retval = FALSE; if (! loaded) { if (! objmmdb1AsnLoad()) { return FALSE; } } if (aip == NULL) { return FALSE; } atp = AsnLinkType(orig, RESIDUE); /* link local tree */ if (atp == NULL) { return FALSE; } if (ptr == NULL) { AsnNullValueMsg(aip, atp); goto erret; } if (! AsnOpenStruct(aip, atp, (Pointer) ptr)) { goto erret; } av.intvalue = ptr -> id; retval = AsnWrite(aip, RESIDUE_id, &av); if (ptr -> name != NULL) { av.ptrvalue = ptr -> name; retval = AsnWrite(aip, RESIDUE_name, &av); } if (ptr -> residue_graph != NULL) { if ( ! ResidueGraphPntrAsnWrite(ptr -> residue_graph, aip, RESIDUE_residue_graph)) { goto erret; } } if (! AsnCloseStruct(aip, atp, (Pointer)ptr)) { goto erret; } retval = TRUE; erret: AsnUnlinkType(orig); /* unlink local tree */ return retval; } /************************************************** * * ResidueGraphPntrFree() * **************************************************/ ResidueGraphPntrPtr LIBCALL ResidueGraphPntrFree(ValNodePtr anp) { Pointer pnt; if (anp == NULL) { return NULL; } pnt = anp->data.ptrvalue; switch (anp->choice) { default: break; case ResidueGraphPntr_biostruc: BiostrucGraphPntrFree(anp -> data.ptrvalue); break; case ResidueGraphPntr_standard: BiostrucResidueGraphSetPntrFree(anp -> data.ptrvalue); break; } return MemFree(anp); } /************************************************** * * ResidueGraphPntrAsnRead() * **************************************************/ ResidueGraphPntrPtr LIBCALL ResidueGraphPntrAsnRead(AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; ValNodePtr anp; Uint1 choice; Boolean isError = FALSE; Boolean nullIsError = FALSE; AsnReadFunc func; if (! loaded) { if (! objmmdb1AsnLoad()) { return NULL; } } if (aip == NULL) { return NULL; } if (orig == NULL) { /* ResidueGraphPntr ::= (self contained) */ atp = AsnReadId(aip, amp, RESIDUE_GRAPH_PNTR); } else { atp = AsnLinkType(orig, RESIDUE_GRAPH_PNTR); /* link in local tree */ } if (atp == NULL) { return NULL; } anp = ValNodeNew(NULL); if (anp == NULL) { goto erret; } if (AsnReadVal(aip, atp, &av) <= 0) { /* read the CHOICE or OpenStruct value (nothing) */ goto erret; } func = NULL; atp = AsnReadId(aip, amp, atp); /* find the choice */ if (atp == NULL) { goto erret; } if (atp == RESIDUE_GRAPH_PNTR_local) { choice = ResidueGraphPntr_local; if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } anp->data.intvalue = av.intvalue; } else if (atp == RESIDUE_GRAPH_PNTR_biostruc) { choice = ResidueGraphPntr_biostruc; func = (AsnReadFunc) BiostrucGraphPntrAsnRead; } else if (atp == RESIDUE_GRAPH_PNTR_standard) { choice = ResidueGraphPntr_standard; func = (AsnReadFunc) BiostrucResidueGraphSetPntrAsnRead; } anp->choice = choice; if (func != NULL) { anp->data.ptrvalue = (* func)(aip, atp); if (aip -> io_failure) goto erret; if (nullIsError && anp->data.ptrvalue == NULL) { goto erret; } } ret: AsnUnlinkType(orig); /* unlink local tree */ return anp; erret: anp = MemFree(anp); aip -> io_failure = TRUE; goto ret; } /************************************************** * * ResidueGraphPntrAsnWrite() * **************************************************/ Boolean LIBCALL ResidueGraphPntrAsnWrite(ResidueGraphPntrPtr anp, AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp, writetype = NULL; Pointer pnt; AsnWriteFunc func = NULL; Boolean retval = FALSE; if (! loaded) { if (! objmmdb1AsnLoad()) return FALSE; } if (aip == NULL) return FALSE; atp = AsnLinkType(orig, RESIDUE_GRAPH_PNTR); /* link local tree */ if (atp == NULL) { return FALSE; } if (anp == NULL) { AsnNullValueMsg(aip, atp); goto erret; } av.ptrvalue = (Pointer)anp; if (! AsnWriteChoice(aip, atp, (Int2)anp->choice, &av)) { goto erret; } pnt = anp->data.ptrvalue; switch (anp->choice) { case ResidueGraphPntr_local: av.intvalue = anp->data.intvalue; retval = AsnWrite(aip, RESIDUE_GRAPH_PNTR_local, &av); break; case ResidueGraphPntr_biostruc: writetype = RESIDUE_GRAPH_PNTR_biostruc; func = (AsnWriteFunc) BiostrucGraphPntrAsnWrite; break; case ResidueGraphPntr_standard: writetype = RESIDUE_GRAPH_PNTR_standard; func = (AsnWriteFunc) BiostrucResidueGraphSetPntrAsnWrite; break; } if (writetype != NULL) { retval = (* func)(pnt, aip, writetype); /* write it out */ } if (!retval) { goto erret; } retval = TRUE; erret: AsnUnlinkType(orig); /* unlink local tree */ return retval; } /************************************************** * * BiostrucGraphPntrNew() * **************************************************/ BiostrucGraphPntrPtr LIBCALL BiostrucGraphPntrNew(void) { BiostrucGraphPntrPtr ptr = MemNew((size_t) sizeof(BiostrucGraphPntr)); return ptr; } /************************************************** * * BiostrucGraphPntrFree() * **************************************************/ BiostrucGraphPntrPtr LIBCALL BiostrucGraphPntrFree(BiostrucGraphPntrPtr ptr) { if(ptr == NULL) { return NULL; } BiostrucIdFree(ptr -> biostruc_id); return MemFree(ptr); } /************************************************** * * BiostrucGraphPntrAsnRead() * **************************************************/ BiostrucGraphPntrPtr LIBCALL BiostrucGraphPntrAsnRead(AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean isError = FALSE; AsnReadFunc func; BiostrucGraphPntrPtr ptr; if (! loaded) { if (! objmmdb1AsnLoad()) { return NULL; } } if (aip == NULL) { return NULL; } if (orig == NULL) { /* BiostrucGraphPntr ::= (self contained) */ atp = AsnReadId(aip, amp, BIOSTRUC_GRAPH_PNTR); } else { atp = AsnLinkType(orig, BIOSTRUC_GRAPH_PNTR); } /* link in local tree */ if (atp == NULL) { return NULL; } ptr = BiostrucGraphPntrNew(); if (ptr == NULL) { goto erret; } if (AsnReadVal(aip, atp, &av) <= 0) { /* read the start struct */ goto erret; } atp = AsnReadId(aip,amp, atp); func = NULL; if (atp == BIOSTRUC_GRAPH_PNTR_biostruc_id) { ptr -> biostruc_id = BiostrucIdAsnRead(aip, atp); if (aip -> io_failure) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == BIOSTRUC_GRAPH_PNTR_residue_graph_id) { if ( AsnReadVal(aip, atp, &av) <= 0) { goto erret; } ptr -> residue_graph_id = av.intvalue; atp = AsnReadId(aip,amp, atp); } if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } /* end struct */ ret: AsnUnlinkType(orig); /* unlink local tree */ return ptr; erret: aip -> io_failure = TRUE; ptr = BiostrucGraphPntrFree(ptr); goto ret; } /************************************************** * * BiostrucGraphPntrAsnWrite() * **************************************************/ Boolean LIBCALL BiostrucGraphPntrAsnWrite(BiostrucGraphPntrPtr ptr, AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean retval = FALSE; if (! loaded) { if (! objmmdb1AsnLoad()) { return FALSE; } } if (aip == NULL) { return FALSE; } atp = AsnLinkType(orig, BIOSTRUC_GRAPH_PNTR); /* link local tree */ if (atp == NULL) { return FALSE; } if (ptr == NULL) { AsnNullValueMsg(aip, atp); goto erret; } if (! AsnOpenStruct(aip, atp, (Pointer) ptr)) { goto erret; } if (ptr -> biostruc_id != NULL) { if ( ! BiostrucIdAsnWrite(ptr -> biostruc_id, aip, BIOSTRUC_GRAPH_PNTR_biostruc_id)) { goto erret; } } av.intvalue = ptr -> residue_graph_id; retval = AsnWrite(aip, BIOSTRUC_GRAPH_PNTR_residue_graph_id, &av); if (! AsnCloseStruct(aip, atp, (Pointer)ptr)) { goto erret; } retval = TRUE; erret: AsnUnlinkType(orig); /* unlink local tree */ return retval; } /************************************************** * * BiostrucResidueGraphSetPntrNew() * **************************************************/ BiostrucResidueGraphSetPntrPtr LIBCALL BiostrucResidueGraphSetPntrNew(void) { BiostrucResidueGraphSetPntrPtr ptr = MemNew((size_t) sizeof(BiostrucResidueGraphSetPntr)); return ptr; } /************************************************** * * BiostrucResidueGraphSetPntrFree() * **************************************************/ BiostrucResidueGraphSetPntrPtr LIBCALL BiostrucResidueGraphSetPntrFree(BiostrucResidueGraphSetPntrPtr ptr) { if(ptr == NULL) { return NULL; } BiostrucIdFree(ptr -> biostruc_residue_graph_set_id); return MemFree(ptr); } /************************************************** * * BiostrucResidueGraphSetPntrAsnRead() * **************************************************/ BiostrucResidueGraphSetPntrPtr LIBCALL BiostrucResidueGraphSetPntrAsnRead(AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean isError = FALSE; AsnReadFunc func; BiostrucResidueGraphSetPntrPtr ptr; if (! loaded) { if (! objmmdb1AsnLoad()) { return NULL; } } if (aip == NULL) { return NULL; } if (orig == NULL) { /* BiostrucResidueGraphSetPntr ::= (self contained) */ atp = AsnReadId(aip, amp, BIOSTRUC_RESIDUE_GRAPH_SET_PNTR); } else { atp = AsnLinkType(orig, BIOSTRUC_RESIDUE_GRAPH_SET_PNTR); } /* link in local tree */ if (atp == NULL) { return NULL; } ptr = BiostrucResidueGraphSetPntrNew(); if (ptr == NULL) { goto erret; } if (AsnReadVal(aip, atp, &av) <= 0) { /* read the start struct */ goto erret; } atp = AsnReadId(aip,amp, atp); func = NULL; if (atp == BIOSTRUC_RESIDUE_GRAPH_SET_PNTR_biostruc_residue_graph_set_id) { ptr -> biostruc_residue_graph_set_id = BiostrucIdAsnRead(aip, atp); if (aip -> io_failure) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == BIOSTRUC_RESIDUE_GRAPH_SET_PNTR_residue_graph_id) { if ( AsnReadVal(aip, atp, &av) <= 0) { goto erret; } ptr -> residue_graph_id = av.intvalue; atp = AsnReadId(aip,amp, atp); } if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } /* end struct */ ret: AsnUnlinkType(orig); /* unlink local tree */ return ptr; erret: aip -> io_failure = TRUE; ptr = BiostrucResidueGraphSetPntrFree(ptr); goto ret; } /************************************************** * * BiostrucResidueGraphSetPntrAsnWrite() * **************************************************/ Boolean LIBCALL BiostrucResidueGraphSetPntrAsnWrite(BiostrucResidueGraphSetPntrPtr ptr, AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean retval = FALSE; if (! loaded) { if (! objmmdb1AsnLoad()) { return FALSE; } } if (aip == NULL) { return FALSE; } atp = AsnLinkType(orig, BIOSTRUC_RESIDUE_GRAPH_SET_PNTR); /* link local tree */ if (atp == NULL) { return FALSE; } if (ptr == NULL) { AsnNullValueMsg(aip, atp); goto erret; } if (! AsnOpenStruct(aip, atp, (Pointer) ptr)) { goto erret; } if (ptr -> biostruc_residue_graph_set_id != NULL) { if ( ! BiostrucIdAsnWrite(ptr -> biostruc_residue_graph_set_id, aip, BIOSTRUC_RESIDUE_GRAPH_SET_PNTR_biostruc_residue_graph_set_id)) { goto erret; } } av.intvalue = ptr -> residue_graph_id; retval = AsnWrite(aip, BIOSTRUC_RESIDUE_GRAPH_SET_PNTR_residue_graph_id, &av); if (! AsnCloseStruct(aip, atp, (Pointer)ptr)) { goto erret; } retval = TRUE; erret: AsnUnlinkType(orig); /* unlink local tree */ return retval; } /************************************************** * * AtomNew() * **************************************************/ AtomPtr LIBCALL AtomNew(void) { AtomPtr ptr = MemNew((size_t) sizeof(Atom)); return ptr; } /************************************************** * * AtomFree() * **************************************************/ AtomPtr LIBCALL AtomFree(AtomPtr ptr) { if(ptr == NULL) { return NULL; } MemFree(ptr -> name); AsnGenericBaseSeqOfFree(ptr -> iupac_code ,ASNCODE_PTRVAL_SLOT); return MemFree(ptr); } /************************************************** * * AtomAsnRead() * **************************************************/ AtomPtr LIBCALL AtomAsnRead(AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean isError = FALSE; AsnReadFunc func; AtomPtr ptr; if (! loaded) { if (! objmmdb1AsnLoad()) { return NULL; } } if (aip == NULL) { return NULL; } if (orig == NULL) { /* Atom ::= (self contained) */ atp = AsnReadId(aip, amp, ATOM); } else { atp = AsnLinkType(orig, ATOM); } /* link in local tree */ if (atp == NULL) { return NULL; } ptr = AtomNew(); if (ptr == NULL) { goto erret; } if (AsnReadVal(aip, atp, &av) <= 0) { /* read the start struct */ goto erret; } atp = AsnReadId(aip,amp, atp); func = NULL; if (atp == ATOM_id) { if ( AsnReadVal(aip, atp, &av) <= 0) { goto erret; } ptr -> id = av.intvalue; atp = AsnReadId(aip,amp, atp); } if (atp == ATOM_name) { if ( AsnReadVal(aip, atp, &av) <= 0) { goto erret; } ptr -> name = av.ptrvalue; atp = AsnReadId(aip,amp, atp); } if (atp == ATOM_iupac_code) { ptr -> iupac_code = AsnGenericBaseSeqOfAsnRead(aip, amp, atp, ASNCODE_PTRVAL_SLOT, &isError); if (isError && ptr -> iupac_code == NULL) { goto erret; } atp = AsnReadId(aip,amp, atp); } if (atp == ATOM_element) { if ( AsnReadVal(aip, atp, &av) <= 0) { goto erret; } ptr -> element = av.intvalue; atp = AsnReadId(aip,amp, atp); } if (atp == ATOM_ionizable_proton) { if ( AsnReadVal(aip, atp, &av) <= 0) { goto erret; } ptr -> ionizable_proton = av.intvalue; ptr -> OBbits__ |= 1<<0; atp = AsnReadId(aip,amp, atp); } if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } /* end struct */ ret: AsnUnlinkType(orig); /* unlink local tree */ return ptr; erret: aip -> io_failure = TRUE; ptr = AtomFree(ptr); goto ret; } /************************************************** * * AtomAsnWrite() * **************************************************/ Boolean LIBCALL AtomAsnWrite(AtomPtr ptr, AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean retval = FALSE; if (! loaded) { if (! objmmdb1AsnLoad()) { return FALSE; } } if (aip == NULL) { return FALSE; } atp = AsnLinkType(orig, ATOM); /* link local tree */ if (atp == NULL) { return FALSE; } if (ptr == NULL) { AsnNullValueMsg(aip, atp); goto erret; } if (! AsnOpenStruct(aip, atp, (Pointer) ptr)) { goto erret; } av.intvalue = ptr -> id; retval = AsnWrite(aip, ATOM_id, &av); if (ptr -> name != NULL) { av.ptrvalue = ptr -> name; retval = AsnWrite(aip, ATOM_name, &av); } retval = AsnGenericBaseSeqOfAsnWrite(ptr -> iupac_code ,ASNCODE_PTRVAL_SLOT, aip, ATOM_iupac_code, ATOM_iupac_code_E); av.intvalue = ptr -> element; retval = AsnWrite(aip, ATOM_element, &av); if (ptr -> ionizable_proton || (ptr -> OBbits__ & (1<<0) )){ av.intvalue = ptr -> ionizable_proton; retval = AsnWrite(aip, ATOM_ionizable_proton, &av); } if (! AsnCloseStruct(aip, atp, (Pointer)ptr)) { goto erret; } retval = TRUE; erret: AsnUnlinkType(orig); /* unlink local tree */ return retval; } /************************************************** * * IntraResidueBondNew() * **************************************************/ IntraResidueBondPtr LIBCALL IntraResidueBondNew(void) { IntraResidueBondPtr ptr = MemNew((size_t) sizeof(IntraResidueBond)); return ptr; } /************************************************** * * IntraResidueBondFree() * **************************************************/ IntraResidueBondPtr LIBCALL IntraResidueBondFree(IntraResidueBondPtr ptr) { if(ptr == NULL) { return NULL; } return MemFree(ptr); } /************************************************** * * IntraResidueBondAsnRead() * **************************************************/ IntraResidueBondPtr LIBCALL IntraResidueBondAsnRead(AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean isError = FALSE; AsnReadFunc func; IntraResidueBondPtr ptr; if (! loaded) { if (! objmmdb1AsnLoad()) { return NULL; } } if (aip == NULL) { return NULL; } if (orig == NULL) { /* IntraResidueBond ::= (self contained) */ atp = AsnReadId(aip, amp, INTRA_RESIDUE_BOND); } else { atp = AsnLinkType(orig, INTRA_RESIDUE_BOND); } /* link in local tree */ if (atp == NULL) { return NULL; } ptr = IntraResidueBondNew(); if (ptr == NULL) { goto erret; } if (AsnReadVal(aip, atp, &av) <= 0) { /* read the start struct */ goto erret; } atp = AsnReadId(aip,amp, atp); func = NULL; if (atp == INTRA_RESIDUE_BOND_atom_id_1) { if ( AsnReadVal(aip, atp, &av) <= 0) { goto erret; } ptr -> atom_id_1 = av.intvalue; atp = AsnReadId(aip,amp, atp); } if (atp == INTRA_RESIDUE_BOND_atom_id_2) { if ( AsnReadVal(aip, atp, &av) <= 0) { goto erret; } ptr -> atom_id_2 = av.intvalue; atp = AsnReadId(aip,amp, atp); } if (atp == INTRA_RESIDUE_BOND_bond_order) { if ( AsnReadVal(aip, atp, &av) <= 0) { goto erret; } ptr -> bond_order = av.intvalue; ptr -> OBbits__ |= 1<<0; atp = AsnReadId(aip,amp, atp); } if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } /* end struct */ ret: AsnUnlinkType(orig); /* unlink local tree */ return ptr; erret: aip -> io_failure = TRUE; ptr = IntraResidueBondFree(ptr); goto ret; } /************************************************** * * IntraResidueBondAsnWrite() * **************************************************/ Boolean LIBCALL IntraResidueBondAsnWrite(IntraResidueBondPtr ptr, AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean retval = FALSE; if (! loaded) { if (! objmmdb1AsnLoad()) { return FALSE; } } if (aip == NULL) { return FALSE; } atp = AsnLinkType(orig, INTRA_RESIDUE_BOND); /* link local tree */ if (atp == NULL) { return FALSE; } if (ptr == NULL) { AsnNullValueMsg(aip, atp); goto erret; } if (! AsnOpenStruct(aip, atp, (Pointer) ptr)) { goto erret; } av.intvalue = ptr -> atom_id_1; retval = AsnWrite(aip, INTRA_RESIDUE_BOND_atom_id_1, &av); av.intvalue = ptr -> atom_id_2; retval = AsnWrite(aip, INTRA_RESIDUE_BOND_atom_id_2, &av); if (ptr -> bond_order || (ptr -> OBbits__ & (1<<0) )){ av.intvalue = ptr -> bond_order; retval = AsnWrite(aip, INTRA_RESIDUE_BOND_bond_order, &av); } if (! AsnCloseStruct(aip, atp, (Pointer)ptr)) { goto erret; } retval = TRUE; erret: AsnUnlinkType(orig); /* unlink local tree */ return retval; } /************************************************** * * ChiralCenterNew() * **************************************************/ ChiralCenterPtr LIBCALL ChiralCenterNew(void) { ChiralCenterPtr ptr = MemNew((size_t) sizeof(ChiralCenter)); return ptr; } /************************************************** * * ChiralCenterFree() * **************************************************/ ChiralCenterPtr LIBCALL ChiralCenterFree(ChiralCenterPtr ptr) { if(ptr == NULL) { return NULL; } return MemFree(ptr); } /************************************************** * * ChiralCenterAsnRead() * **************************************************/ ChiralCenterPtr LIBCALL ChiralCenterAsnRead(AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean isError = FALSE; AsnReadFunc func; ChiralCenterPtr ptr; if (! loaded) { if (! objmmdb1AsnLoad()) { return NULL; } } if (aip == NULL) { return NULL; } if (orig == NULL) { /* ChiralCenter ::= (self contained) */ atp = AsnReadId(aip, amp, CHIRAL_CENTER); } else { atp = AsnLinkType(orig, CHIRAL_CENTER); } /* link in local tree */ if (atp == NULL) { return NULL; } ptr = ChiralCenterNew(); if (ptr == NULL) { goto erret; } if (AsnReadVal(aip, atp, &av) <= 0) { /* read the start struct */ goto erret; } atp = AsnReadId(aip,amp, atp); func = NULL; if (atp == CHIRAL_CENTER_c) { if ( AsnReadVal(aip, atp, &av) <= 0) { goto erret; } ptr -> c = av.intvalue; atp = AsnReadId(aip,amp, atp); } if (atp == CHIRAL_CENTER_n1) { if ( AsnReadVal(aip, atp, &av) <= 0) { goto erret; } ptr -> n1 = av.intvalue; atp = AsnReadId(aip,amp, atp); } if (atp == CHIRAL_CENTER_n2) { if ( AsnReadVal(aip, atp, &av) <= 0) { goto erret; } ptr -> n2 = av.intvalue; atp = AsnReadId(aip,amp, atp); } if (atp == CHIRAL_CENTER_n3) { if ( AsnReadVal(aip, atp, &av) <= 0) { goto erret; } ptr -> n3 = av.intvalue; atp = AsnReadId(aip,amp, atp); } if (atp == CHIRAL_CENTER_sign) { if ( AsnReadVal(aip, atp, &av) <= 0) { goto erret; } ptr -> sign = av.intvalue; atp = AsnReadId(aip,amp, atp); } if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } /* end struct */ ret: AsnUnlinkType(orig); /* unlink local tree */ return ptr; erret: aip -> io_failure = TRUE; ptr = ChiralCenterFree(ptr); goto ret; } /************************************************** * * ChiralCenterAsnWrite() * **************************************************/ Boolean LIBCALL ChiralCenterAsnWrite(ChiralCenterPtr ptr, AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean retval = FALSE; if (! loaded) { if (! objmmdb1AsnLoad()) { return FALSE; } } if (aip == NULL) { return FALSE; } atp = AsnLinkType(orig, CHIRAL_CENTER); /* link local tree */ if (atp == NULL) { return FALSE; } if (ptr == NULL) { AsnNullValueMsg(aip, atp); goto erret; } if (! AsnOpenStruct(aip, atp, (Pointer) ptr)) { goto erret; } av.intvalue = ptr -> c; retval = AsnWrite(aip, CHIRAL_CENTER_c, &av); av.intvalue = ptr -> n1; retval = AsnWrite(aip, CHIRAL_CENTER_n1, &av); av.intvalue = ptr -> n2; retval = AsnWrite(aip, CHIRAL_CENTER_n2, &av); av.intvalue = ptr -> n3; retval = AsnWrite(aip, CHIRAL_CENTER_n3, &av); av.intvalue = ptr -> sign; retval = AsnWrite(aip, CHIRAL_CENTER_sign, &av); if (! AsnCloseStruct(aip, atp, (Pointer)ptr)) { goto erret; } retval = TRUE; erret: AsnUnlinkType(orig); /* unlink local tree */ return retval; } /************************************************** * * AtomPntrNew() * **************************************************/ AtomPntrPtr LIBCALL AtomPntrNew(void) { AtomPntrPtr ptr = MemNew((size_t) sizeof(AtomPntr)); return ptr; } /************************************************** * * AtomPntrFree() * **************************************************/ AtomPntrPtr LIBCALL AtomPntrFree(AtomPntrPtr ptr) { if(ptr == NULL) { return NULL; } return MemFree(ptr); } /************************************************** * * AtomPntrAsnRead() * **************************************************/ AtomPntrPtr LIBCALL AtomPntrAsnRead(AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean isError = FALSE; AsnReadFunc func; AtomPntrPtr ptr; if (! loaded) { if (! objmmdb1AsnLoad()) { return NULL; } } if (aip == NULL) { return NULL; } if (orig == NULL) { /* AtomPntr ::= (self contained) */ atp = AsnReadId(aip, amp, ATOM_PNTR); } else { atp = AsnLinkType(orig, ATOM_PNTR); } /* link in local tree */ if (atp == NULL) { return NULL; } ptr = AtomPntrNew(); if (ptr == NULL) { goto erret; } if (AsnReadVal(aip, atp, &av) <= 0) { /* read the start struct */ goto erret; } atp = AsnReadId(aip,amp, atp); func = NULL; if (atp == ATOM_PNTR_molecule_id) { if ( AsnReadVal(aip, atp, &av) <= 0) { goto erret; } ptr -> molecule_id = av.intvalue; atp = AsnReadId(aip,amp, atp); } if (atp == ATOM_PNTR_residue_id) { if ( AsnReadVal(aip, atp, &av) <= 0) { goto erret; } ptr -> residue_id = av.intvalue; atp = AsnReadId(aip,amp, atp); } if (atp == ATOM_PNTR_atom_id) { if ( AsnReadVal(aip, atp, &av) <= 0) { goto erret; } ptr -> atom_id = av.intvalue; atp = AsnReadId(aip,amp, atp); } if (AsnReadVal(aip, atp, &av) <= 0) { goto erret; } /* end struct */ ret: AsnUnlinkType(orig); /* unlink local tree */ return ptr; erret: aip -> io_failure = TRUE; ptr = AtomPntrFree(ptr); goto ret; } /************************************************** * * AtomPntrAsnWrite() * **************************************************/ Boolean LIBCALL AtomPntrAsnWrite(AtomPntrPtr ptr, AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean retval = FALSE; if (! loaded) { if (! objmmdb1AsnLoad()) { return FALSE; } } if (aip == NULL) { return FALSE; } atp = AsnLinkType(orig, ATOM_PNTR); /* link local tree */ if (atp == NULL) { return FALSE; } if (ptr == NULL) { AsnNullValueMsg(aip, atp); goto erret; } if (! AsnOpenStruct(aip, atp, (Pointer) ptr)) { goto erret; } av.intvalue = ptr -> molecule_id; retval = AsnWrite(aip, ATOM_PNTR_molecule_id, &av); av.intvalue = ptr -> residue_id; retval = AsnWrite(aip, ATOM_PNTR_residue_id, &av); av.intvalue = ptr -> atom_id; retval = AsnWrite(aip, ATOM_PNTR_atom_id, &av); if (! AsnCloseStruct(aip, atp, (Pointer)ptr)) { goto erret; } retval = TRUE; erret: AsnUnlinkType(orig); /* unlink local tree */ return retval; } /************************************************** * * AtomPntrSetFree() * **************************************************/ AtomPntrSetPtr LIBCALL AtomPntrSetFree(AtomPntrSetPtr ptr) { if(ptr == NULL) { return NULL; } AsnGenericUserSeqOfFree(ptr, (AsnOptFreeFunc) AtomPntrFree); return NULL; } /************************************************** * * AtomPntrSetAsnRead() * **************************************************/ AtomPntrSetPtr LIBCALL AtomPntrSetAsnRead(AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean isError = FALSE; AsnReadFunc func; AtomPntrSetPtr ptr; if (! loaded) { if (! objmmdb1AsnLoad()) { return NULL; } } if (aip == NULL) { return NULL; } if (orig == NULL) { /* AtomPntrSet ::= (self contained) */ atp = AsnReadId(aip, amp, ATOM_PNTR_SET); } else { atp = AsnLinkType(orig, ATOM_PNTR_SET); } /* link in local tree */ if (atp == NULL) { return NULL; } func = NULL; ptr = AsnGenericUserSeqOfAsnRead(aip, amp, atp, &isError, (AsnReadFunc) AtomPntrAsnRead, (AsnOptFreeFunc) AtomPntrFree); if (isError && ptr == NULL) { goto erret; } ret: AsnUnlinkType(orig); /* unlink local tree */ return ptr; erret: aip -> io_failure = TRUE; ptr = AtomPntrSetFree(ptr); goto ret; } /************************************************** * * AtomPntrSetAsnWrite() * **************************************************/ Boolean LIBCALL AtomPntrSetAsnWrite(AtomPntrSetPtr ptr, AsnIoPtr aip, AsnTypePtr orig) { DataVal av; AsnTypePtr atp; Boolean retval = FALSE; if (! loaded) { if (! objmmdb1AsnLoad()) { return FALSE; } } if (aip == NULL) { return FALSE; } atp = AsnLinkType(orig, ATOM_PNTR_SET); /* link local tree */ if (atp == NULL) { return FALSE; } if (ptr == NULL) { AsnNullValueMsg(aip, atp); goto erret; } retval = AsnGenericUserSeqOfAsnWrite(ptr , (AsnWriteFunc) AtomPntrAsnWrite, aip, atp, ATOM_PNTR_SET_E); retval = TRUE; erret: AsnUnlinkType(orig); /* unlink local tree */ return retval; }